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CHEBI:139931 - bkos#24-CoA(4-)

Default Structure
ChEBI IDCHEBI:139931
ChEBI Namebkos#24-CoA(4-)
Stars
DefinitionConjugate base of bkos#24-CoA
SubmitterMichael Witting
DownloadsMolfile
FormulaC41H66N7O22P3S
Net Charge-4
Average Mass1133.995
Monoisotopic Mass1133.32164
SMILESC[C@@H]1O[C@@H](OCCCCCCCCCCCC(=O)CC(=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/C41H70N7O22P3S/c1-25-27(50)20-28(51)40(67-25)64-17-12-10-8-6-4-5-7-9-11-13-26(49)19-31(53)74-18-16-43-30(52)14-15-44-38(56)35(55)41(2,3)22-66-73(62,63)70-72(60,61)65-21-29-34(69-71(57,58)59)33(54)39(68-29)48-24-47-32-36(42)45-23-46-37(32)48/h23-25,27-29,33-35,39-40,50-51,54-55H,4-22H2,1-3H3,(H,43,52)(H,44,56)(H,60,61)(H,62,63)(H2,42,45,46)(H2,57,58,59)/p-4/t25-,27+,28+,29+,33+,34+,35-,39+,40+/m0/s1
InChIKeyKOOYXIKZAMFMQF-JBZRVMOZSA-J
ChEBI Ontology
Outgoing Relation(s)
bkos#24-CoA(4-) (CHEBI:139931) is a organic molecular entity (CHEBI:50860)