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CHEBI:139617 - ascr#10-CoA(4−)

ChEBI IDCHEBI:139617
ChEBI Nameascr#10-CoA(4−)
Stars
ASCII Nameascr#10-CoA(4-)
DefinitionAn acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate OH groups of ascr#10-CoA; major species at pH 7.3.
Last Modified5 January 2021
SubmitterMichael Witting
DownloadsMolfile
FormulaC36H58N7O21P3S
Net Charge-4
Average Mass1049.877
Monoisotopic Mass1049.26413
SMILESC[C@H](CCCCCCC(=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-])O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O
InChIInChI=1S/C36H62N7O21P3S/c1-20(60-35-23(45)15-22(44)21(2)61-35)9-7-5-6-8-10-26(47)68-14-13-38-25(46)11-12-39-33(50)30(49)36(3,4)17-59-67(56,57)64-66(54,55)58-16-24-29(63-65(51,52)53)28(48)34(62-24)43-19-42-27-31(37)40-18-41-32(27)43/h18-24,28-30,34-35,44-45,48-49H,5-17H2,1-4H3,(H,38,46)(H,39,50)(H,54,55)(H,56,57)(H2,37,40,41)(H2,51,52,53)/p-4/t20-,21+,22-,23-,24-,28-,29-,30+,34-,35-/m1/s1
InChIKeyRZJQHWLIHIAVBC-OUSLZRTPSA-J
ChEBI Ontology
Outgoing Relation(s)
ascr#10-CoA(4−) (CHEBI:139617) is a acyl-CoA(4−) (CHEBI:58342)
ascr#10-CoA(4−) (CHEBI:139617) is conjugate base of ascr#10-CoA (CHEBI:139616)
Incoming Relation(s)
ascr#10-CoA (CHEBI:139616) is conjugate acid of ascr#10-CoA(4−) (CHEBI:139617)
UniProt Name  Source
asc-C9-CoAUniProt