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CHEBI:139980 - oscr#15-CoA(4−)

ChEBI IDCHEBI:139980
ChEBI Nameoscr#15-CoA(4−)
Stars
ASCII Nameoscr#15-CoA(4-)
DefinitionAn acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate groups of oscr#15-CoA; major species at pH 7.3.
Last Modified2 March 2018
SubmitterMichael Witting
DownloadsMolfile
FormulaC37H58N7O21P3S
Net Charge-4
Average Mass1061.888
Monoisotopic Mass1061.26413
SMILESC[C@@H]1O[C@@H](OCCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2OP(=O)([O-])[O-])[C@H](O)C[C@H]1O
InChIInChI=1S/C37H62N7O21P3S/c1-22-23(45)17-24(46)36(62-22)59-15-10-8-6-4-5-7-9-11-27(48)69-16-14-39-26(47)12-13-40-34(51)31(50)37(2,3)19-61-68(57,58)65-67(55,56)60-18-25-30(64-66(52,53)54)29(49)35(63-25)44-21-43-28-32(38)41-20-42-33(28)44/h9,11,20-25,29-31,35-36,45-46,49-50H,4-8,10,12-19H2,1-3H3,(H,39,47)(H,40,51)(H,55,56)(H,57,58)(H2,38,41,42)(H2,52,53,54)/p-4/b11-9+/t22-,23+,24+,25+,29+,30+,31-,35+,36+/m0/s1
InChIKeyLMCSNKVRWFPNBK-RJINDJSTSA-J
ChEBI Ontology
Outgoing Relation(s)
oscr#15-CoA(4−) (CHEBI:139980) is a acyl-CoA(4−) (CHEBI:58342)
oscr#15-CoA(4−) (CHEBI:139980) is conjugate base of oscr#15-CoA (CHEBI:139979)
Incoming Relation(s)
oscr#15-CoA (CHEBI:139979) is conjugate acid of oscr#15-CoA(4−) (CHEBI:139980)
Synonyms  Source
(2E)-10-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]dec-2-enoyl-CoA(4−)ChEBI
(2E)-10-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]dec-2-enoyl-coenzyme A(4−)ChEBI
oscr#15-coenzyme A(4−)ChEBI