CHEBI:60907 - (S)-ethylmalonyl-CoA

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ChEBI Name (S)-ethylmalonyl-CoA
ChEBI ID CHEBI:60907
ChEBI ASCII Name (S)-ethylmalonyl-CoA
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C26H42N7O19P3S
Net Charge 0
Average Mass 881.63300
Monoisotopic Mass 881.14690
InChI InChI=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
InChIKey VUGZQVCBBBEZQE-UQCJFRAESA-N
SMILES CC[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]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Roles Classification
Chemical Role(s): acyl donor
Any donor that can transfer acyl groups between molecular entities.
(via acyl-CoA )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (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 (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 Sources
(2S)-2-ethylmalonyl-CoA ChEBI
(2S)-ethylmalonyl coenzyme A ChEBI
(S)-2-ethylmalonyl-CoA ChEBI
(S)-ethylmalonyl coenzyme A ChEBI
(S)-ethylmalonyl-CoA ChEBI
Registry Number Type Source
19783652 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
17548827 PubMed citation Europe PMC
19458256 PubMed citation Europe PMC
Last Modified
21 May 2015