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CHEBI:139810 - bhos#30-CoA(4-)

Default Structure
ChEBI IDCHEBI:139810
ChEBI Namebhos#30-CoA(4-)
Stars
DefinitionConjugate base of bhos#30-CoA
SubmitterMichael Witting
DownloadsMolfile
FormulaC44H74N7O22P3S
Net Charge-4
Average Mass1178.092
Monoisotopic Mass1177.38424
SMILESC[C@@H]1O[C@@H](OCCCCCCCCCCCCCC[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/C44H78N7O22P3S/c1-28-30(53)23-31(54)43(70-28)67-20-15-13-11-9-7-5-4-6-8-10-12-14-16-29(52)22-34(56)77-21-19-46-33(55)17-18-47-41(59)38(58)44(2,3)25-69-76(65,66)73-75(63,64)68-24-32-37(72-74(60,61)62)36(57)42(71-32)51-27-50-35-39(45)48-26-49-40(35)51/h26-32,36-38,42-43,52-54,57-58H,4-25H2,1-3H3,(H,46,55)(H,47,59)(H,63,64)(H,65,66)(H2,45,48,49)(H2,60,61,62)/p-4/t28-,29+,30+,31+,32+,36+,37+,38-,42+,43+/m0/s1
InChIKeyBMLIWHQGDVQVOG-PYWGEPFMSA-J
ChEBI Ontology
Outgoing Relation(s)
bhos#30-CoA(4-) (CHEBI:139810) is a organic molecular entity (CHEBI:50860)