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CHEBI:139863 - bkas#24-CoA(4-)

Default Structure
ChEBI IDCHEBI:139863
ChEBI Namebkas#24-CoA(4-)
Stars
DefinitionConjugate base of bkas#24-CoA
SubmitterMichael Witting
DownloadsMolfile
FormulaC41H66N7O22P3S
Net Charge-4
Average Mass1133.995
Monoisotopic Mass1133.32164
SMILESC[C@H](CCCCCCCCCC(=O)CC(=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/C41H70N7O22P3S/c1-24(66-40-28(51)19-27(50)25(2)67-40)12-10-8-6-5-7-9-11-13-26(49)18-31(53)74-17-16-43-30(52)14-15-44-38(56)35(55)41(3,4)21-65-73(62,63)70-72(60,61)64-20-29-34(69-71(57,58)59)33(54)39(68-29)48-23-47-32-36(42)45-22-46-37(32)48/h22-25,27-29,33-35,39-40,50-51,54-55H,5-21H2,1-4H3,(H,43,52)(H,44,56)(H,60,61)(H,62,63)(H2,42,45,46)(H2,57,58,59)/p-4/t24-,25+,27-,28-,29-,33-,34-,35+,39-,40-/m1/s1
InChIKeyKAEHZKXUEDFDPU-MSRNHSFWSA-J
ChEBI Ontology
Outgoing Relation(s)
bkas#24-CoA(4-) (CHEBI:139863) is a organic molecular entity (CHEBI:50860)