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CHEBI:60907 - (S)-ethylmalonyl-CoA

ChEBI IDCHEBI:60907
ChEBI Name(S)-ethylmalonyl-CoA
Stars
ASCII Name(S)-ethylmalonyl-CoA
DefinitionAn acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with one of the carboxy groups of (2S)-ethylmalonic acid.
Last Modified21 May 2015
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC26H42N7O19P3S
Net Charge0
Average Mass881.641
Monoisotopic Mass881.14690
SMILESCC[C@@H](C(=O)O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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
InChIInChI=1S/C26H42N7O19P3S/c1-4-13(24(38)39)25(40)56-8-7-28-15(34)5-6-29-22(37)19(36)26(2,3)10-49-55(46,47)52-54(44,45)48-9-14-18(51-53(41,42)43)17(35)23(50-14)33-12-32-16-20(27)30-11-31-21(16)33/h11-14,17-19,23,35-36H,4-10H2,1-3H3,(H,28,34)(H,29,37)(H,38,39)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/t13-,14+,17+,18+,19-,23+/m0/s1
InChIKeyVUGZQVCBBBEZQE-UQCJFRAESA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
(S)-ethylmalonyl-CoA (CHEBI:60907) has functional parent ethylmalonic acid (CHEBI:741548)
(S)-ethylmalonyl-CoA (CHEBI:60907) is a ω-carboxyacyl-CoA (CHEBI:37555)
(S)-ethylmalonyl-CoA (CHEBI:60907) is conjugate acid of (S)-ethylmalonyl-CoA(5−) (CHEBI:60909)
Incoming Relation(s)
(S)-ethylmalonyl-CoA(5−) (CHEBI:60909) is conjugate base of (S)-ethylmalonyl-CoA (CHEBI:60907)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2S)-2-carboxybutanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms  Source
(S)-2-ethylmalonyl-CoAChEBI
(S)-ethylmalonyl coenzyme AChEBI
(2S)-ethylmalonyl coenzyme AChEBI
(S)-ethylmalonyl-CoAChEBI
(2S)-2-ethylmalonyl-CoAChEBI
Registry NumbersSources
Reaxys:19783652Reaxys
Citations