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CHEBI:140012 - oscr#25-CoA(4−)

ChEBI IDCHEBI:140012
ChEBI Nameoscr#25-CoA(4−)
Stars
ASCII Nameoscr#25-CoA(4-)
DefinitionAn acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate groups of oscr#25-CoA; major species at pH 7.3.
Last Modified23 February 2018
SubmitterMichael Witting
DownloadsMolfile
FormulaC42H68N7O21P3S
Net Charge-4
Average Mass1132.023
Monoisotopic Mass1131.34238
SMILESC[C@@H]1O[C@@H](OCCCCCCCCCCCC/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/C42H72N7O21P3S/c1-27-28(50)22-29(51)41(67-27)64-20-15-13-11-9-7-5-4-6-8-10-12-14-16-32(53)74-21-19-44-31(52)17-18-45-39(56)36(55)42(2,3)24-66-73(62,63)70-72(60,61)65-23-30-35(69-71(57,58)59)34(54)40(68-30)49-26-48-33-37(43)46-25-47-38(33)49/h14,16,25-30,34-36,40-41,50-51,54-55H,4-13,15,17-24H2,1-3H3,(H,44,52)(H,45,56)(H,60,61)(H,62,63)(H2,43,46,47)(H2,57,58,59)/p-4/b16-14+/t27-,28+,29+,30+,34+,35+,36-,40+,41+/m0/s1
InChIKeyKDCIKDSBHWEIJJ-ODGANHKRSA-J
ChEBI Ontology
Outgoing Relation(s)
oscr#25-CoA(4−) (CHEBI:140012) is a acyl-CoA(4−) (CHEBI:58342)
oscr#25-CoA(4−) (CHEBI:140012) is conjugate base of oscr#25-CoA (CHEBI:140011)
Incoming Relation(s)
oscr#25-CoA (CHEBI:140011) is conjugate acid of oscr#25-CoA(4−) (CHEBI:140012)
Synonyms  Source
(2E)-15-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]pentadec-2-enoyl-CoA(4−)ChEBI
(2E)-15-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]pentadec-2-enoyl-coenzyme A(4−)ChEBI
oscr#25-coenzyme A(4−)ChEBI