CHEBI:136808 - carboxymethyl-CoA

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ChEBI Name carboxymethyl-CoA
ChEBI ID CHEBI:136808
Definition An S-alkyl-CoA having carboxymethyl as the S-alkyl component.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C23H38N7O18P3S
Net Charge 0
Average Mass 825.572
Monoisotopic Mass 825.12069
InChI InChI=1S/C23H38N7O18P3S/c1-23(2,18(35)21(36)26-4-3-13(31)25-5-6-52-8-14(32)33)9-45-51(42,43)48-50(40,41)44-7-12-17(47-49(37,38)39)16(34)22(46-12)30-11-29-15-19(24)27-10-28-20(15)30/h10-12,16-18,22,34-35H,3-9H2,1-2H3,(H,25,31)(H,26,36)(H,32,33)(H,40,41)(H,42,43)(H2,24,27,28)(H2,37,38,39)/t12-,16-,17-,18+,22-/m1/s1
InChIKey OBUOSIHPWVNVJN-GRFIIANRSA-N
SMILES [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC([C@H](C(NCCC(NCCSCC(O)=O)=O)=O)O)(C)C)(=O)O)(=O)O)[C@H]([C@H]1O)OP(O)(O)=O
Metabolite of Species Details
Brassica napus (NCBI:txid3708) See: MetaboLights Study
Brassica napus (NCBI:txid3708) See: PubMed
Roles Classification
Biological Role(s): Brassica napus metabolite
Any plant metabolite that is produced by rapeseed (Brassica napus).
EC 2.3.3.1 [citrate (Si)-synthase] inhibitor
An EC 2.3.3.* (acyltransferase converting acyl to alkyl group on transfer) inhibitor that interferes with the action of citrate (Si)-synthase, EC 2.3.3.1.
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ChEBI Ontology
Outgoing carboxymethyl-CoA (CHEBI:136808) has role Brassica napus metabolite (CHEBI:140165)
carboxymethyl-CoA (CHEBI:136808) has role EC 2.3.3.1 [citrate (Si)-synthase] inhibitor (CHEBI:77023)
carboxymethyl-CoA (CHEBI:136808) is a S-alkyl-CoA (CHEBI:62204)
Synonyms Sources
Carboxymethyl-coenzyme A ChemIDplus
S-(carboxymethyl)-CoA ChEBI
S-(carboxymethyl)-coenzyme A ChEBI
Manual Xref Database
CPD0-1673 MetaCyc
View more database links
Registry Number Type Source
79955-48-9 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
1324722 PubMed citation Europe PMC
1324723 PubMed citation Europe PMC
1675605 PubMed citation Europe PMC
23954305 PubMed citation Europe PMC
3281713 PubMed citation Europe PMC
3607038 PubMed citation Europe PMC
3978085 PubMed citation Europe PMC
7308213 PubMed citation Europe PMC
7577912 PubMed citation Europe PMC
7612655 PubMed citation Europe PMC
Last Modified
13 April 2018