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CHEBI:139901 - bkos#10-CoA(4-)

Default Structure
ChEBI IDCHEBI:139901
ChEBI Namebkos#10-CoA(4-)
Stars
DefinitionConjugate base of bkos#10-CoA
SubmitterMichael Witting
DownloadsMolfile
FormulaC36H56N7O22P3S
Net Charge-4
Average Mass1063.860
Monoisotopic Mass1063.24339
SMILESC[C@@H]1O[C@@H](OCCCCCCC(=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/C36H60N7O22P3S/c1-20-22(45)15-23(46)35(62-20)59-12-7-5-4-6-8-21(44)14-26(48)69-13-11-38-25(47)9-10-39-33(51)30(50)36(2,3)17-61-68(57,58)65-67(55,56)60-16-24-29(64-66(52,53)54)28(49)34(63-24)43-19-42-27-31(37)40-18-41-32(27)43/h18-20,22-24,28-30,34-35,45-46,49-50H,4-17H2,1-3H3,(H,38,47)(H,39,51)(H,55,56)(H,57,58)(H2,37,40,41)(H2,52,53,54)/p-4/t20-,22+,23+,24+,28+,29+,30-,34+,35+/m0/s1
InChIKeyXYYTYCVYIGZVHC-QNDIWHFOSA-J
ChEBI Ontology
Outgoing Relation(s)
bkos#10-CoA(4-) (CHEBI:139901) is a organic molecular entity (CHEBI:50860)