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CHEBI:156076 - 2-(methylsulfanyl)acetyl-CoA(4−)

ChEBI IDCHEBI:156076
ChEBI Name2-(methylsulfanyl)acetyl-CoA(4−)
Stars
ASCII Name2-(methylsulfanyl)acetyl-CoA(4-)
DefinitionAn acyl-CoA(4−) oxoanion arising from deprotonation of the phosphate and diphosphate OH groups of 2-(methylsulfanyl)acetyl-CoA; major species at pH 7.3.
SubmitterAnne Morgat
DownloadsMolfile
FormulaC24H36N7O17P3S2
Net Charge-4
Average Mass851.640
Monoisotopic Mass851.08439
SMILESCSCC(=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/C24H40N7O17P3S2/c1-24(2,19(35)22(36)27-5-4-14(32)26-6-7-53-15(33)9-52-3)10-45-51(42,43)48-50(40,41)44-8-13-18(47-49(37,38)39)17(34)23(46-13)31-12-30-16-20(25)28-11-29-21(16)31/h11-13,17-19,23,34-35H,4-10H2,1-3H3,(H,26,32)(H,27,36)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)/p-4/t13-,17-,18-,19+,23-/m1/s1
InChIKeyIWLBMPJBKLWIQI-IEXPHMLFSA-J
ChEBI Ontology
Outgoing Relation(s)
2-(methylsulfanyl)acetyl-CoA(4−) (CHEBI:156076) is a acyl-CoA(4−) (CHEBI:58342)
UniProt Name  Source
2-(methylsulfanyl)acetyl-CoAUniProt