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CHEBI:139816 - bhos#34-CoA(4-)

Default Structure
ChEBI IDCHEBI:139816
ChEBI Namebhos#34-CoA(4-)
Stars
DefinitionConjugate base of bhos#34-CoA
SubmitterMichael Witting
DownloadsMolfile
FormulaC46H78N7O22P3S
Net Charge-4
Average Mass1206.146
Monoisotopic Mass1205.41554
SMILESC[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCC[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/C46H82N7O22P3S/c1-30-32(55)25-33(56)45(72-30)69-22-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-31(54)24-36(58)79-23-21-48-35(57)19-20-49-43(61)40(60)46(2,3)27-71-78(67,68)75-77(65,66)70-26-34-39(74-76(62,63)64)38(59)44(73-34)53-29-52-37-41(47)50-28-51-42(37)53/h28-34,38-40,44-45,54-56,59-60H,4-27H2,1-3H3,(H,48,57)(H,49,61)(H,65,66)(H,67,68)(H2,47,50,51)(H2,62,63,64)/p-4/t30-,31+,32+,33+,34+,38+,39+,40-,44+,45+/m0/s1
InChIKeyICFZJLGVPACMHD-BTTQSKRZSA-J
ChEBI Ontology
Outgoing Relation(s)
bhos#34-CoA(4-) (CHEBI:139816) is a organic molecular entity (CHEBI:50860)