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CHEBI:139967 - oscr#10-CoA(4−)

ChEBI IDCHEBI:139967
ChEBI Nameoscr#10-CoA(4−)
Stars
ASCII Nameoscr#10-CoA(4-)
DefinitionAn acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate groups of oscr#10-CoA; major species at pH 7.3.
Last Modified1 December 2020
SubmitterMichael Witting
DownloadsMolfile
FormulaC36H58N7O21P3S
Net Charge-4
Average Mass1049.877
Monoisotopic Mass1049.26413
SMILESC[C@@H]1O[C@@H](OCCCCCCCCC(=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/C36H62N7O21P3S/c1-21-22(44)16-23(45)35(61-21)58-14-9-7-5-4-6-8-10-26(47)68-15-13-38-25(46)11-12-39-33(50)30(49)36(2,3)18-60-67(56,57)64-66(54,55)59-17-24-29(63-65(51,52)53)28(48)34(62-24)43-20-42-27-31(37)40-19-41-32(27)43/h19-24,28-30,34-35,44-45,48-49H,4-18H2,1-3H3,(H,38,46)(H,39,50)(H,54,55)(H,56,57)(H2,37,40,41)(H2,51,52,53)/p-4/t21-,22+,23+,24+,28+,29+,30-,34+,35+/m0/s1
InChIKeyUYLBZZOCHBVQEC-JZHPBSJXSA-J
ChEBI Ontology
Outgoing Relation(s)
oscr#10-CoA(4−) (CHEBI:139967) is a acyl-CoA(4−) (CHEBI:58342)
oscr#10-CoA(4−) (CHEBI:139967) is conjugate base of oscr#10-CoA (CHEBI:139966)
Incoming Relation(s)
oscr#10-CoA (CHEBI:139966) is conjugate acid of oscr#10-CoA(4−) (CHEBI:139967)
Synonyms  Source
9-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]nonanoyl-CoA(4−)ChEBI
9-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]nonanoyl-coenzyme A(4−)ChEBI
oscr#10-coenzyme A(4−)ChEBI