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CHEBI:139871 - bkas#28-CoA(4-)

Default Structure
ChEBI IDCHEBI:139871
ChEBI Namebkas#28-CoA(4-)
Stars
DefinitionConjugate base of bkas#28-CoA
SubmitterMichael Witting
DownloadsMolfile
FormulaC43H70N7O22P3S
Net Charge-4
Average Mass1162.049
Monoisotopic Mass1161.35294
SMILESC[C@H](CCCCCCCCCCCC(=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/C43H74N7O22P3S/c1-26(68-42-30(53)21-29(52)27(2)69-42)14-12-10-8-6-5-7-9-11-13-15-28(51)20-33(55)76-19-18-45-32(54)16-17-46-40(58)37(57)43(3,4)23-67-75(64,65)72-74(62,63)66-22-31-36(71-73(59,60)61)35(56)41(70-31)50-25-49-34-38(44)47-24-48-39(34)50/h24-27,29-31,35-37,41-42,52-53,56-57H,5-23H2,1-4H3,(H,45,54)(H,46,58)(H,62,63)(H,64,65)(H2,44,47,48)(H2,59,60,61)/p-4/t26-,27+,29-,30-,31-,35-,36-,37+,41-,42-/m1/s1
InChIKeyQFWBASFTHJWYGC-CYQGFKKRSA-J
ChEBI Ontology
Outgoing Relation(s)
bkas#28-CoA(4-) (CHEBI:139871) is a organic molecular entity (CHEBI:50860)