CHEBI:81672 - (2S)-methylsuccinyl-CoA

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ChEBI Name (2S)-methylsuccinyl-CoA
ChEBI ID CHEBI:81672
ChEBI ASCII Name (2S)-methylsuccinyl-CoA
Definition An acyl-CoA resulting from the formal condensation of the thiol group of coenzyme A with the 1-carboxy group of (2S)-methylsuccinic 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/c1-13(8-16(35)36)25(40)56-7-6-28-15(34)4-5-29-23(39)20(38)26(2,3)10-49-55(46,47)52-54(44,45)48-9-14-19(51-53(41,42)43)18(37)24(50-14)33-12-32-17-21(27)30-11-31-22(17)33/h11-14,18-20,24,37-38H,4-10H2,1-3H3,(H,28,34)(H,29,39)(H,35,36)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/t13-,14+,18+,19+,20-,24+/m0/s1
InChIKey OUFHQHVVFSERRI-VKBDFPRVSA-N
SMILES C[C@@H](CC(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 (2S)-methylsuccinyl-CoA (CHEBI:81672) is a acyl-CoA (CHEBI:17984)
(2S)-methylsuccinyl-CoA (CHEBI:81672) is conjugate acid of (2S)-methylsuccinyl-CoA(5−) (CHEBI:84866)
Incoming (2S)-methylsuccinyl-CoA(5−) (CHEBI:84866) is conjugate base of (2S)-methylsuccinyl-CoA (CHEBI:81672)
Synonyms Sources
(2S)-methylsuccinyl-coenzyme A ChEBI
Methylsuccinyl-CoA KEGG COMPOUND
Methylsuccinyl-coenzyme A KEGG COMPOUND
Manual Xref Database
C18324 KEGG COMPOUND
View more database links
Registry Number Type Source
22539665 Reaxys Registry Number Reaxys
Last Modified
13 April 2015