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CHEBI:139935 - bkos#26-CoA(4-)

Default Structure
ChEBI IDCHEBI:139935
ChEBI Namebkos#26-CoA(4-)
Stars
DefinitionConjugate base of bkos#26-CoA
SubmitterMichael Witting
DownloadsMolfile
FormulaC42H68N7O22P3S
Net Charge-4
Average Mass1148.022
Monoisotopic Mass1147.33729
SMILESC[C@@H]1O[C@@H](OCCCCCCCCCCCCC(=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/C42H72N7O22P3S/c1-26-28(51)21-29(52)41(68-26)65-18-13-11-9-7-5-4-6-8-10-12-14-27(50)20-32(54)75-19-17-44-31(53)15-16-45-39(57)36(56)42(2,3)23-67-74(63,64)71-73(61,62)66-22-30-35(70-72(58,59)60)34(55)40(69-30)49-25-48-33-37(43)46-24-47-38(33)49/h24-26,28-30,34-36,40-41,51-52,55-56H,4-23H2,1-3H3,(H,44,53)(H,45,57)(H,61,62)(H,63,64)(H2,43,46,47)(H2,58,59,60)/p-4/t26-,28+,29+,30+,34+,35+,36-,40+,41+/m0/s1
InChIKeyRNGXWGWSIXNJNH-MCKZJXPSSA-J
ChEBI Ontology
Outgoing Relation(s)
bkos#26-CoA(4-) (CHEBI:139935) is a organic molecular entity (CHEBI:50860)