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CHEBI:139959 - bkos#38-CoA(4-)

Default Structure
ChEBI IDCHEBI:139959
ChEBI Namebkos#38-CoA(4-)
Stars
DefinitionConjugate base of bkos#38-CoA
SubmitterMichael Witting
DownloadsMolfile
FormulaC48H80N7O22P3S
Net Charge-4
Average Mass1232.184
Monoisotopic Mass1231.43119
SMILESC[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCCCCC(=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/C48H84N7O22P3S/c1-32-34(57)27-35(58)47(74-32)71-24-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-33(56)26-38(60)81-25-23-50-37(59)21-22-51-45(63)42(62)48(2,3)29-73-80(69,70)77-79(67,68)72-28-36-41(76-78(64,65)66)40(61)46(75-36)55-31-54-39-43(49)52-30-53-44(39)55/h30-32,34-36,40-42,46-47,57-58,61-62H,4-29H2,1-3H3,(H,50,59)(H,51,63)(H,67,68)(H,69,70)(H2,49,52,53)(H2,64,65,66)/p-4/t32-,34+,35+,36+,40+,41+,42-,46+,47+/m0/s1
InChIKeyHFVNRVKVUDIOGD-UMGNQYTGSA-J
ChEBI Ontology
Outgoing Relation(s)
bkos#38-CoA(4-) (CHEBI:139959) is a organic molecular entity (CHEBI:50860)