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CHEBI:136808 - carboxymethyl-CoA

ChEBI IDCHEBI:136808
ChEBI Namecarboxymethyl-CoA
Stars
DefinitionAn S-alkyl-CoA having carboxymethyl as the S-alkyl component.
Last Modified13 April 2018
Submittermwilliams
DownloadsMolfile
FormulaC23H38N7O18P3S
Net Charge0
Average Mass825.577
Monoisotopic Mass825.12069
SMILESCC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSCC(=O)O
InChIInChI=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
InChIKeyOBUOSIHPWVNVJN-GRFIIANRSA-N
Species of MetaboliteComponentSourceComments
Brassica napus (ncbitaxon:3708)
- MetaboLights (MTBLS312)
- PubMed (27500669)
Roles Classification
Biological Roles:
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.
Brassica napus metabolite  Any plant metabolite that is produced by rapeseed (Brassica napus).
ChEBI Ontology
Outgoing Relation(s)
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  Source
Carboxymethyl-coenzyme AChemIDplus
S-(carboxymethyl)-CoAChEBI
S-(carboxymethyl)-coenzyme AChEBI
Manual XrefsDatabases
CPD0-1673MetaCyc
Registry NumbersSources
CAS:79955-48-9ChemIDplus
Citations