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CHEBI:140043 - oscr#35-CoA(4−)

ChEBI IDCHEBI:140043
ChEBI Nameoscr#35-CoA(4−)
Stars
ASCII Nameoscr#35-CoA(4-)
DefinitionAn acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate groups of oscr#35-CoA; major species at pH 7.3.
Last Modified20 February 2018
SubmitterMichael Witting
DownloadsMolfile
FormulaC47H78N7O21P3S
Net Charge-4
Average Mass1202.158
Monoisotopic Mass1201.42063
SMILESC[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCCC/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/C47H82N7O21P3S/c1-32-33(55)27-34(56)46(72-32)69-25-20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21-37(58)79-26-24-49-36(57)22-23-50-44(61)41(60)47(2,3)29-71-78(67,68)75-77(65,66)70-28-35-40(74-76(62,63)64)39(59)45(73-35)54-31-53-38-42(48)51-30-52-43(38)54/h19,21,30-35,39-41,45-46,55-56,59-60H,4-18,20,22-29H2,1-3H3,(H,49,57)(H,50,61)(H,65,66)(H,67,68)(H2,48,51,52)(H2,62,63,64)/p-4/b21-19+/t32-,33+,34+,35+,39+,40+,41-,45+,46+/m0/s1
InChIKeyOHCFXYRJFYDIDU-NDHIWMSKSA-J
ChEBI Ontology
Outgoing Relation(s)
oscr#35-CoA(4−) (CHEBI:140043) is a acyl-CoA(4−) (CHEBI:58342)
oscr#35-CoA(4−) (CHEBI:140043) is conjugate base of oscr#35-CoA (CHEBI:140042)
Incoming Relation(s)
oscr#35-CoA (CHEBI:140042) is conjugate acid of oscr#35-CoA(4−) (CHEBI:140043)
Synonyms  Source
oscr#35-coenzyme A(4−)ChEBI
(2E)-20-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]icos-2-enoyl-CoA(4−)ChEBI
(2E)-20-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]icos-2-enoyl-coenzyme A(4−)ChEBI