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CHEBI:84866 - (2S)-methylsuccinyl-CoA(5−)

ChEBI IDCHEBI:84866
ChEBI Name(2S)-methylsuccinyl-CoA(5−)
Stars
ASCII Name(2S)-methylsuccinyl-CoA(5-)
DefinitionAn acyl-CoA oxoanion arising from deprotonation of the phosphate, diphosphate and carboxy groups of (2S)-methylsuccinyl-CoA; major species at pH 7.3.
Last Modified13 April 2015
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC26H37N7O19P3S
Net Charge-5
Average Mass876.601
Monoisotopic Mass876.11052
SMILESC[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](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-]
InChIInChI=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)/p-5/t13-,14+,18+,19+,20-,24+/m0/s1
InChIKeyOUFHQHVVFSERRI-VKBDFPRVSA-I
ChEBI Ontology
Outgoing Relation(s)
(2S)-methylsuccinyl-CoA(5−) (CHEBI:84866) is a acyl-CoA oxoanion (CHEBI:58946)
(2S)-methylsuccinyl-CoA(5−) (CHEBI:84866) is conjugate base of (2S)-methylsuccinyl-CoA (CHEBI:81672)
Incoming Relation(s)
(2S)-methylsuccinyl-CoA (CHEBI:81672) is conjugate acid of (2S)-methylsuccinyl-CoA(5−) (CHEBI:84866)
UniProt Name  Source
(2S)-methylsuccinyl-CoAUniProt
Citations