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CHEBI:139832 - bkas#10-CoA(4-)

Default Structure
ChEBI IDCHEBI:139832
ChEBI Namebkas#10-CoA(4-)
Stars
DefinitionConjugate base of bkas#10-CoA
SubmitterMichael Witting
DownloadsMolfile
FormulaC36H56N7O22P3S
Net Charge-4
Average Mass1063.860
Monoisotopic Mass1063.24339
SMILESC[C@H](CCCCC(=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/C36H60N7O22P3S/c1-19(61-35-23(46)14-22(45)20(2)62-35)7-5-6-8-21(44)13-26(48)69-12-11-38-25(47)9-10-39-33(51)30(50)36(3,4)16-60-68(57,58)65-67(55,56)59-15-24-29(64-66(52,53)54)28(49)34(63-24)43-18-42-27-31(37)40-17-41-32(27)43/h17-20,22-24,28-30,34-35,45-46,49-50H,5-16H2,1-4H3,(H,38,47)(H,39,51)(H,55,56)(H,57,58)(H2,37,40,41)(H2,52,53,54)/p-4/t19-,20+,22-,23-,24-,28-,29-,30+,34-,35-/m1/s1
InChIKeyDHQBQECJOOZVTJ-KPPZHRRPSA-J
ChEBI Ontology
Outgoing Relation(s)
bkas#10-CoA(4-) (CHEBI:139832) is a organic molecular entity (CHEBI:50860)