WormFlux: mechanistic analysis of C. elegans metabolism

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PEAPathway Enrichment Analysis

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Metabolite Overview

Abbreviation .....................................................	:	vacccoa
Name .....................................................	:	Vaccenyl coenzyme A
Model ID .....................................................	:	CC0068
KEGG ID (?) Compounds in KEGG database that match this compound. .....................................................	:	Not available
Formula .....................................................	:	C39H64N7O17P3S
Charge .....................................................	:	-4
Localization .....................................................	:	Mitochondria, Cytosol
BiGG matches (?) Compounds in BiGG database that match this compound. .....................................................	:	vacccoa
Other associations .....................................................	:	See reaction table below (8 reactions in total)

In WormPaths (?) Pathway maps where this metabolite is represented are listed here. Letters after map name indicate the compartments the metabolite is placed in the map: (c) Cytosol (m) Mitochondria (e) Extracellular space .....................................................	:	Fatty acid biosynthesis (c), Mitochondrial fatty acid degradation (c,m), Peroxisomal fatty acid degradation (c)

iCEL1314

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Reactions

ID

Enzyme

Reactants

Products

Genes (?) Multiple genes are separated by OR (I) or AND (&).

I indicates that genes are redundant within the group (e.g. paralogs encoding the same enzyme).
& indicates that genes are non-redundant within the group (e.g. genes encoding different subunits of the same enzyme).

If there are multiple groups of genes, as in an enzyme complex with some enzymes associated with multiple genes, or in a case where the same enzyme is associated with different orthology groups with paralogs, each group with multiple genes is shown in parentheses.

Pathway

RCC0070Name: long chain fatty acid elongation (Palmitoleyl-coA to Vaccenyl-coA) Type: Regular Location: Cytosol KEGG ID: R09419;R10826;R10827;R10828 click to see details on this item	2.3.1.199Name: very-long-chain 3-oxoacyl-CoA synthase Other names: very-long-chain 3-ketoacyl-CoA synthase, very-long-chain beta-ketoacyl-CoA synthase, condensing enzyme, CUT1 (gene name), CER6 (gene name), FAE1 (gene name), KCS (gene name), ELO (gene name) click to see details on this item 1.1.1.330Name: very-long-chain 3-oxoacyl-CoA reductase Other names: very-long-chain 3-ketoacyl-CoA reductase, very-long-chain beta-ketoacyl-CoA reductase, KCR (gene name), IFA38 (gene name) click to see details on this item 4.2.1.134Name: very-long-chain (3R)-3-hydroxyacyl-[acyl-carrier protein] dehydratase Other names: PHS1 (gene name), PAS2 (gene name) click to see details on this item 1.3.1.93Name: very-long-chain enoyl-CoA reductase Other names: TSC13 (gene name), CER10 (gene name) click to see details on this item	[c] : fa16p1n7coaName: Palmitoleyl-coA Formula: C37H60N7O17P3S Charge: -4 click to see details on this item + malcoaName: Malonyl-CoA Formula: C24H33N7O19P3S Charge: -5 click to see details on this item + (2) nadphName: Nicotinamide adenine dinucleotide phosphate - reduced Formula: C21H26N7O17P3 Charge: -4 click to see details on this item + (3) hName: H+ Formula: H Charge: 1 click to see details on this item		vacccoaName: Vaccenyl coenzyme A Formula: C39H64N7O17P3S Charge: -4 click to see details on this item + coaName: Coenzyme A Formula: C21H32N7O16P3S Charge: -4 click to see details on this item + (2) nadpName: Nicotinamide adenine dinucleotide phosphate Formula: C21H25N7O17P3 Charge: -3 click to see details on this item + h2oName: H2O Formula: H2O Charge: 0 click to see details on this item + co2Name: CO2 Formula: CO2 Charge: 0 click to see details on this item	(elo-1 \| elo-2 \| elo-3 \| elo-4 \| elo-5 \| elo-6 \| elo-7 \| elo-9) & let-767 & hpo-8 & art-1	Fatty acid biosynthesis
RCC0108Name: Acyl-CoA:L-carnitine O-acyltransferase I (vaccenyl CoA) Type: Regular Location: Cytosol KEGG ID: NA click to see details on this item	2.3.1.21Name: carnitine O-palmitoyltransferase Other names: CPT, CPTo, outer malonyl-CoA inhibitable carnitine palmitoyltransferase, CPTi, CPT I (outer membrane carnitine palmitoyl transferase), carnitine palmitoyltransferase I, carnitine palmitoyltransferase II, CPT-A, CPT-B, acylcarnitine transferase, carnitine palmitoyltransferase, carnitine palmitoyltransferase-A, L-carnitine palmitoyltransferase, palmitoylcarnitine transferase click to see details on this item	[c] : crnName: L-Carnitine Formula: C7H15NO3 Charge: 0 click to see details on this item + vacccoaName: Vaccenyl coenzyme A Formula: C39H64N7O17P3S Charge: -4 click to see details on this item		coaName: Coenzyme A Formula: C21H32N7O16P3S Charge: -4 click to see details on this item + vacccrnName: Vaccenyl carnitine Formula: C25H47NO4 Charge: 0 click to see details on this item	cpt-1 \| cpt-3 \| cpt-4 \| cpt-5 \| cpt-6	Mitochondrial fatty acid degradation
RMC0108Name: Acyl-CoA:L-carnitine O-acyltransferase II (vaccenyl CoA) Type: Regular Location: Mitochondria KEGG ID: NA click to see details on this item	2.3.1.21Name: carnitine O-palmitoyltransferase Other names: CPT, CPTo, outer malonyl-CoA inhibitable carnitine palmitoyltransferase, CPTi, CPT I (outer membrane carnitine palmitoyl transferase), carnitine palmitoyltransferase I, carnitine palmitoyltransferase II, CPT-A, CPT-B, acylcarnitine transferase, carnitine palmitoyltransferase, carnitine palmitoyltransferase-A, L-carnitine palmitoyltransferase, palmitoylcarnitine transferase click to see details on this item	[m] : coaName: Coenzyme A Formula: C21H32N7O16P3S Charge: -4 click to see details on this item + vacccrnName: Vaccenyl carnitine Formula: C25H47NO4 Charge: 0 click to see details on this item		crnName: L-Carnitine Formula: C7H15NO3 Charge: 0 click to see details on this item + vacccoaName: Vaccenyl coenzyme A Formula: C39H64N7O17P3S Charge: -4 click to see details on this item	cpt-2	Mitochondrial fatty acid degradation
RCC0130Name: fatty-acid--CoA ligase (vacc) Type: Regular Location: Cytosol KEGG ID: R00390 click to see details on this item	6.2.1.3Name: long-chain-fatty-acid---CoA ligase Other names: acyl-CoA synthetase, fatty acid thiokinase (long chain), acyl-activating enzyme, palmitoyl-CoA synthase, lignoceroyl-CoA synthase, arachidonyl-CoA synthetase, acyl coenzyme A synthetase, acyl-CoA ligase, palmitoyl coenzyme A synthetase, thiokinase, palmitoyl-CoA ligase, acyl-coenzyme A ligase, fatty acid CoA ligase, long-chain fatty acyl coenzyme A synthetase, oleoyl-CoA synthetase, stearoyl-CoA synthetase, long chain fatty acyl-CoA synthetase, long-chain acyl CoA synthetase, fatty acid elongase, LCFA synthetase, pristanoyl-CoA synthetase, ACS3, long-chain acyl-CoA synthetase I, long-chain acyl-CoA synthetase II, fatty acyl-coenzyme A synthetase, long-chain acyl-coenzyme A synthetase, FAA1 click to see details on this item	[c] : atpName: ATP Formula: C10H12N5O13P3 Charge: -4 click to see details on this item + coaName: Coenzyme A Formula: C21H32N7O16P3S Charge: -4 click to see details on this item + vaccName: Vaccenic acid Formula: C18H33O2 Charge: -1 click to see details on this item		ampName: AMP Formula: C10H12N5O7P Charge: -2 click to see details on this item + ppiName: Diphosphate Formula: HO7P2 Charge: -3 click to see details on this item + vacccoaName: Vaccenyl coenzyme A Formula: C39H64N7O17P3S Charge: -4 click to see details on this item	acs-2 \| acs-3 \| acs-4 \| acs-5 \| acs-13 \| acs-15 \| acs-17 \| acs-18	Fatty acid biosynthesis
RMC0090Name: Beta oxidation of vaccenic acid (mitochondrial) Type: Regular Location: Mitochondria KEGG ID: R00392;R02685;R01778;R00391 click to see details on this item	1.3.8.7Name: medium-chain acyl-CoA dehydrogenase Other names: fatty acyl coenzyme A dehydrogenase (ambiguous), acyl coenzyme A dehydrogenase (ambiguous), acyl dehydrogenase (ambiguous), fatty-acyl-CoA dehydrogenase (ambiguous), acyl CoA dehydrogenase (ambiguous), general acyl CoA dehydrogenase (ambiguous), medium-chain acyl-coenzyme A dehydrogenase, acyl-CoA:(acceptor) 2,3-oxidoreductase (ambiguous), ACADM (gene name). click to see details on this item 5.3.3.8Name: dodecenoyl-CoA isomerase Other names: dodecenoyl-CoA Delta-isomerase, Delta3-cis-Delta2-trans-enoyl-CoA isomerase, acetylene-allene isomerase, dodecenoyl-CoA Delta-isomerase, dodecenoyl-CoA Delta3-cis-Delta2-trans-isomerase click to see details on this item 4.2.1.17Name: enoyl-CoA hydratase Other names: enoyl hydrase, unsaturated acyl-CoA hydratase, beta-hydroxyacyl-CoA dehydrase, beta-hydroxyacid dehydrase, hydratase, enoyl coenzyme A, acyl coenzyme A hydrase, crotonase, crotonyl hydrase, 2-octenoyl coenzyme A hydrase, enoyl coenzyme A hydratase, 2-enoyl-CoA hydratase, short-chain enoyl-CoA hydratase, ECH, trans-2-enoyl-CoA hydratase, enoyl coenzyme A hydrase (D), enoyl coenzyme A hydrase (L), short chain enoyl coenzyme A hydratase, D-3-hydroxyacyl-CoA dehydratase, enol-CoA hydratase click to see details on this item 1.1.1.211Name: long-chain-3-hydroxyacyl-CoA dehydrogenase Other names: beta-hydroxyacyl-CoA dehydrogenase, long-chain 3-hydroxyacyl coenzyme A dehydrogenase, 3-hydroxyacyl-CoA dehydrogenase, LCHAD click to see details on this item 1.1.1.35Name: 3-hydroxyacyl-CoA dehydrogenase Other names: beta-hydroxyacyl dehydrogenase, beta-keto-reductase, 3-keto reductase, 3-hydroxyacyl coenzyme A dehydrogenase, beta-hydroxyacyl-coenzyme A synthetase, beta-hydroxyacylcoenzyme A dehydrogenase, beta-hydroxybutyrylcoenzyme A dehydrogenase, 3-hydroxyacetyl-coenzyme A dehydrogenase, L-3-hydroxyacyl coenzyme A dehydrogenase, L-3-hydroxyacyl CoA dehydrogenase, beta-hydroxyacyl CoA dehydrogenase, 3beta-hydroxyacyl coenzyme A dehydrogenase, 3-hydroxybutyryl-CoA dehydrogenase, beta-ketoacyl-CoA reductase, beta-hydroxy acid dehydrogenase, 3-L-hydroxyacyl-CoA dehydrogenase, 3-hydroxyisobutyryl-CoA dehydrogenase, 1-specific DPN-linked beta-hydroxybutyric dehydrogenase click to see details on this item 2.3.1.16Name: acetyl-CoA C-acyltransferase Other names: beta-ketothiolase, 3-ketoacyl-CoA thiolase, KAT, beta-ketoacyl coenzyme A thiolase, beta-ketoacyl-CoA thiolase, beta-ketoadipyl coenzyme A thiolase, beta-ketoadipyl-CoA thiolase, 3-ketoacyl CoA thiolase, 3-ketoacyl coenzyme A thiolase, 3-ketoacyl thiolase, 3-ketothiolase, 3-oxoacyl-CoA thiolase, 3-oxoacyl-coenzyme A thiolase, 6-oxoacyl-CoA thiolase, acetoacetyl-CoA beta-ketothiolase, acetyl-CoA acyltransferase, ketoacyl-CoA acyltransferase, ketoacyl-coenzyme A thiolase, long-chain 3-oxoacyl-CoA thiolase, oxoacyl-coenzyme A thiolase, pro-3-ketoacyl-CoA thiolase, thiolase I, 2-methylacetoacetyl-CoA thiolase [misleading] click to see details on this item	[m] : (5) coaName: Coenzyme A Formula: C21H32N7O16P3S Charge: -4 click to see details on this item + (5) h2oName: H2O Formula: H2O Charge: 0 click to see details on this item + (5) nadName: Nicotinamide adenine dinucleotide Formula: C21H26N7O14P2 Charge: -1 click to see details on this item + (4) fadName: Flavin adenine dinucleotide oxidized Formula: C27H31N9O15P2 Charge: -2 click to see details on this item + vacccoaName: Vaccenyl coenzyme A Formula: C39H64N7O17P3S Charge: -4 click to see details on this item		(5) accoaName: Acetyl-CoA Formula: C23H34N7O17P3S Charge: -4 click to see details on this item + (5) hName: H+ Formula: H Charge: 1 click to see details on this item + (4) fadh2Name: Flavin adenine dinucleotide reduced Formula: C27H33N9O15P2 Charge: -2 click to see details on this item + (5) nadhName: Nicotinamide adenine dinucleotide - reduced Formula: C21H27N7O14P2 Charge: -2 click to see details on this item + occoaName: Octanoyl-CoA (n-C8:0CoA) Formula: C29H46N7O17P3S Charge: -4 click to see details on this item	(acdh-7 \| acdh-8 \| acdh-10 \| acdh-12) & (ech-4 \| B0272.4) & [(ech-6 \| ech-7) \| (ech-1.2 \| ech-1.1) \| ech-3] & [(ech-1.2 \| ech-1.1) \| (B0272.3 \| F54C8.1 \| ech-8 \| ech-9 \| hacd-1)] & (B0303.3 \| acaa-2)	Mitochondrial fatty acid degradation
RCC0090Name: Beta oxidation of vaccenic acid (peroxisomal) Type: Regular Location: Cytosol KEGG ID: R00388;R01778;R00391 click to see details on this item	1.3.3.6Name: acyl-CoA oxidase Other names: fatty acyl-CoA oxidase, acyl coenzyme A oxidase, fatty acyl-coenzyme A oxidase click to see details on this item 5.3.3.8Name: dodecenoyl-CoA isomerase Other names: dodecenoyl-CoA Delta-isomerase, Delta3-cis-Delta2-trans-enoyl-CoA isomerase, acetylene-allene isomerase, dodecenoyl-CoA Delta-isomerase, dodecenoyl-CoA Delta3-cis-Delta2-trans-isomerase click to see details on this item 4.2.1.17Name: enoyl-CoA hydratase Other names: enoyl hydrase, unsaturated acyl-CoA hydratase, beta-hydroxyacyl-CoA dehydrase, beta-hydroxyacid dehydrase, hydratase, enoyl coenzyme A, acyl coenzyme A hydrase, crotonase, crotonyl hydrase, 2-octenoyl coenzyme A hydrase, enoyl coenzyme A hydratase, 2-enoyl-CoA hydratase, short-chain enoyl-CoA hydratase, ECH, trans-2-enoyl-CoA hydratase, enoyl coenzyme A hydrase (D), enoyl coenzyme A hydrase (L), short chain enoyl coenzyme A hydratase, D-3-hydroxyacyl-CoA dehydratase, enol-CoA hydratase click to see details on this item 1.1.1.211Name: long-chain-3-hydroxyacyl-CoA dehydrogenase Other names: beta-hydroxyacyl-CoA dehydrogenase, long-chain 3-hydroxyacyl coenzyme A dehydrogenase, 3-hydroxyacyl-CoA dehydrogenase, LCHAD click to see details on this item 1.1.1.35Name: 3-hydroxyacyl-CoA dehydrogenase Other names: beta-hydroxyacyl dehydrogenase, beta-keto-reductase, 3-keto reductase, 3-hydroxyacyl coenzyme A dehydrogenase, beta-hydroxyacyl-coenzyme A synthetase, beta-hydroxyacylcoenzyme A dehydrogenase, beta-hydroxybutyrylcoenzyme A dehydrogenase, 3-hydroxyacetyl-coenzyme A dehydrogenase, L-3-hydroxyacyl coenzyme A dehydrogenase, L-3-hydroxyacyl CoA dehydrogenase, beta-hydroxyacyl CoA dehydrogenase, 3beta-hydroxyacyl coenzyme A dehydrogenase, 3-hydroxybutyryl-CoA dehydrogenase, beta-ketoacyl-CoA reductase, beta-hydroxy acid dehydrogenase, 3-L-hydroxyacyl-CoA dehydrogenase, 3-hydroxyisobutyryl-CoA dehydrogenase, 1-specific DPN-linked beta-hydroxybutyric dehydrogenase click to see details on this item 2.3.1.16Name: acetyl-CoA C-acyltransferase Other names: beta-ketothiolase, 3-ketoacyl-CoA thiolase, KAT, beta-ketoacyl coenzyme A thiolase, beta-ketoacyl-CoA thiolase, beta-ketoadipyl coenzyme A thiolase, beta-ketoadipyl-CoA thiolase, 3-ketoacyl CoA thiolase, 3-ketoacyl coenzyme A thiolase, 3-ketoacyl thiolase, 3-ketothiolase, 3-oxoacyl-CoA thiolase, 3-oxoacyl-coenzyme A thiolase, 6-oxoacyl-CoA thiolase, acetoacetyl-CoA beta-ketothiolase, acetyl-CoA acyltransferase, ketoacyl-CoA acyltransferase, ketoacyl-coenzyme A thiolase, long-chain 3-oxoacyl-CoA thiolase, oxoacyl-coenzyme A thiolase, pro-3-ketoacyl-CoA thiolase, thiolase I, 2-methylacetoacetyl-CoA thiolase [misleading] click to see details on this item	[c] : (5) coaName: Coenzyme A Formula: C21H32N7O16P3S Charge: -4 click to see details on this item + (5) h2oName: H2O Formula: H2O Charge: 0 click to see details on this item + (5) nadName: Nicotinamide adenine dinucleotide Formula: C21H26N7O14P2 Charge: -1 click to see details on this item + (4) o2Name: O2 Formula: O2 Charge: 0 click to see details on this item + vacccoaName: Vaccenyl coenzyme A Formula: C39H64N7O17P3S Charge: -4 click to see details on this item		(5) accoaName: Acetyl-CoA Formula: C23H34N7O17P3S Charge: -4 click to see details on this item + (5) hName: H+ Formula: H Charge: 1 click to see details on this item + (4) h2o2Name: Hydrogen peroxide Formula: H2O2 Charge: 0 click to see details on this item + (5) nadhName: Nicotinamide adenine dinucleotide - reduced Formula: C21H27N7O14P2 Charge: -2 click to see details on this item + occoaName: Octanoyl-CoA (n-C8:0CoA) Formula: C29H46N7O17P3S Charge: -4 click to see details on this item	(acox-1.5 \| acox-1.1 \| acox-1.2 \| acox-1.3 \| acox-1.4 \| acox-3 \| acox-1.6) & F58A6.1 & (dhs-28 \| maoc-1) & daf-22	Peroxisomal fatty acid degradation
BIO0005Name: Fatty acid conversions (Rtotal3) Type: Biomass Location: Cytosol KEGG ID: NA click to see details on this item	Not applicable	[c] : (0.008687) arachdcoaName: C20:4-CoA Formula: C41H62N7O17P3S Charge: -4 click to see details on this item + (0.02991) fa16p1n7coaName: Palmitoleyl-coA Formula: C37H60N7O17P3S Charge: -4 click to see details on this item + (0.033888) tmndnccoaName: timnodonyl coenzyme A Formula: C41H60N7O17P3S Charge: -4 click to see details on this item + (0.070249) odecoaName: Octadecenoyl-CoA (n-C18:1CoA) Formula: C39H64N7O17P3S Charge: -4 click to see details on this item + (0.016289) eicostetcoaName: eicosatetranoyl coenzyme A Formula: C41H62N7O17P3S Charge: -4 click to see details on this item + (0.039136) fa17p0isocoaName: Fatty acyl (C17:iso) coa Formula: C38H64N7O17P3S Charge: -4 click to see details on this item + (0.051607) pmtcoaName: Palmitoyl-CoA (n-C16:0CoA) Formula: C37H62N7O17P3S Charge: -4 click to see details on this item + (0.041849) stcoaName: Stearoyl-CoA (n-C18:0CoA) Formula: C39H66N7O17P3S Charge: -4 click to see details on this item + (0.026969) dlnlcgcoaName: dihomo-gamma-linolenyl coenzyme A Formula: C41H64N7O17P3S Charge: -4 click to see details on this item + (0.170938) vacccoaName: Vaccenyl coenzyme A Formula: C39H64N7O17P3S Charge: -4 click to see details on this item + (0.354879) fa17c9coaName: cis-9,10-methylenehexadecanoyl coa Formula: C38H62N7O17P3S Charge: -4 click to see details on this item + (0.033335) tdcoaName: Tetradecanoyl-CoA (n-C14:0CoA) Formula: C35H58N7O17P3S Charge: -4 click to see details on this item + (0.077813) fa15p0isocoaName: Fatty acyl (C15:iso) coa Formula: C36H60N7O17P3S Charge: -4 click to see details on this item + (0.035378) lnlccoaName: linoleic coenzyme A Formula: C39H62N7O17P3S Charge: -4 click to see details on this item + (0.008964) lgnccoaName: lignocericyl coenzyme A Formula: C45H78N7O17P3S Charge: -4 click to see details on this item + (0.000111) fa19c11coaName: cis-11,12-methyleneoctadecanoyl coa Formula: C40H66N7O17P3S Charge: -4 click to see details on this item		Rtotal3coaName: R total 3 Coenzyme A Formula: CO2FULLR3C21H31N7O15P3S Charge: -4 click to see details on this item	Not applicable	Biomass assembly
BIO0006Name: Fatty acid conversions (Rtotal) Type: Biomass Location: Cytosol KEGG ID: NA click to see details on this item	Not applicable	[c] : (0.071255) dlnlcgcoaName: dihomo-gamma-linolenyl coenzyme A Formula: C41H64N7O17P3S Charge: -4 click to see details on this item + (0.099154) eicostetcoaName: eicosatetranoyl coenzyme A Formula: C41H62N7O17P3S Charge: -4 click to see details on this item + (0.025021) odecoaName: Octadecenoyl-CoA (n-C18:1CoA) Formula: C39H64N7O17P3S Charge: -4 click to see details on this item + (0.170596) vacccoaName: Vaccenyl coenzyme A Formula: C39H64N7O17P3S Charge: -4 click to see details on this item + (0.008707) lgnccoaName: lignocericyl coenzyme A Formula: C45H78N7O17P3S Charge: -4 click to see details on this item + (0.011369) fa16p1n7coaName: Palmitoleyl-coA Formula: C37H60N7O17P3S Charge: -4 click to see details on this item + (0.233615) tmndnccoaName: timnodonyl coenzyme A Formula: C41H60N7O17P3S Charge: -4 click to see details on this item + (0.051383) pmtcoaName: Palmitoyl-CoA (n-C16:0CoA) Formula: C37H62N7O17P3S Charge: -4 click to see details on this item + (0.080196) fa17c9coaName: cis-9,10-methylenehexadecanoyl coa Formula: C38H62N7O17P3S Charge: -4 click to see details on this item + (0.030888) fa17p0isocoaName: Fatty acyl (C17:iso) coa Formula: C38H64N7O17P3S Charge: -4 click to see details on this item + (0.052693) lnlccoaName: linoleic coenzyme A Formula: C39H62N7O17P3S Charge: -4 click to see details on this item + (0.00001) fa19c11coaName: cis-11,12-methyleneoctadecanoyl coa Formula: C40H66N7O17P3S Charge: -4 click to see details on this item + (0.026371) arachdcoaName: C20:4-CoA Formula: C41H62N7O17P3S Charge: -4 click to see details on this item + (0.023869) fa15p0isocoaName: Fatty acyl (C15:iso) coa Formula: C36H60N7O17P3S Charge: -4 click to see details on this item + (0.105017) stcoaName: Stearoyl-CoA (n-C18:0CoA) Formula: C39H66N7O17P3S Charge: -4 click to see details on this item + (0.009855) tdcoaName: Tetradecanoyl-CoA (n-C14:0CoA) Formula: C35H58N7O17P3S Charge: -4 click to see details on this item		RtotalcoaName: R total Coenzyme A Formula: CO2FULLRC21H31N7O15P3S Charge: -4 click to see details on this item	Not applicable	Biomass assembly

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