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CHEBI:139813 - bhos#32-CoA(4-)

Default Structure
ChEBI IDCHEBI:139813
ChEBI Namebhos#32-CoA(4-)
Stars
DefinitionConjugate base of bhos#32-CoA
SubmitterMichael Witting
DownloadsMolfile
FormulaC45H76N7O22P3S
Net Charge-4
Average Mass1192.119
Monoisotopic Mass1191.39989
SMILESC[C@@H]1O[C@@H](OCCCCCCCCCCCCCCC[C@@H](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/C45H80N7O22P3S/c1-29-31(54)24-32(55)44(71-29)68-21-16-14-12-10-8-6-4-5-7-9-11-13-15-17-30(53)23-35(57)78-22-20-47-34(56)18-19-48-42(60)39(59)45(2,3)26-70-77(66,67)74-76(64,65)69-25-33-38(73-75(61,62)63)37(58)43(72-33)52-28-51-36-40(46)49-27-50-41(36)52/h27-33,37-39,43-44,53-55,58-59H,4-26H2,1-3H3,(H,47,56)(H,48,60)(H,64,65)(H,66,67)(H2,46,49,50)(H2,61,62,63)/p-4/t29-,30+,31+,32+,33+,37+,38+,39-,43+,44+/m0/s1
InChIKeyRTBDUTFKVDLDQR-ABZUVBNSSA-J
ChEBI Ontology
Outgoing Relation(s)
bhos#32-CoA(4-) (CHEBI:139813) is a organic molecular entity (CHEBI:50860)