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CHEBI:139875 - bkas#30-CoA(4-)

Default Structure
ChEBI IDCHEBI:139875
ChEBI Namebkas#30-CoA(4-)
Stars
DefinitionConjugate base of bkas#30-CoA
SubmitterMichael Witting
DownloadsMolfile
FormulaC44H72N7O22P3S
Net Charge-4
Average Mass1176.076
Monoisotopic Mass1175.36859
SMILESC[C@H](CCCCCCCCCCCCC(=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/C44H76N7O22P3S/c1-27(69-43-31(54)22-30(53)28(2)70-43)15-13-11-9-7-5-6-8-10-12-14-16-29(52)21-34(56)77-20-19-46-33(55)17-18-47-41(59)38(58)44(3,4)24-68-76(65,66)73-75(63,64)67-23-32-37(72-74(60,61)62)36(57)42(71-32)51-26-50-35-39(45)48-25-49-40(35)51/h25-28,30-32,36-38,42-43,53-54,57-58H,5-24H2,1-4H3,(H,46,55)(H,47,59)(H,63,64)(H,65,66)(H2,45,48,49)(H2,60,61,62)/p-4/t27-,28+,30-,31-,32-,36-,37-,38+,42-,43-/m1/s1
InChIKeyIJKXTUNOMVFDCE-YWQCAHSSSA-J
ChEBI Ontology
Outgoing Relation(s)
bkas#30-CoA(4-) (CHEBI:139875) is a organic molecular entity (CHEBI:50860)