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CHEBI:139797 - bhos#22-CoA

Default Structure
ChEBI IDCHEBI:139797
ChEBI Namebhos#22-CoA
Stars
DefinitionCoA ester of bhos#22
SubmitterMichael Witting
DownloadsMolfile
FormulaC40H70N7O22P3S
Net Charge0
Average Mass1126.016
Monoisotopic Mass1125.35075
SMILESC[C@@H]1O[C@@H](OCCCCCCCCCC[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/C40H70N7O22P3S/c1-24-26(49)19-27(50)39(66-24)63-16-11-9-7-5-4-6-8-10-12-25(48)18-30(52)73-17-15-42-29(51)13-14-43-37(55)34(54)40(2,3)21-65-72(61,62)69-71(59,60)64-20-28-33(68-70(56,57)58)32(53)38(67-28)47-23-46-31-35(41)44-22-45-36(31)47/h22-28,32-34,38-39,48-50,53-54H,4-21H2,1-3H3,(H,42,51)(H,43,55)(H,59,60)(H,61,62)(H2,41,44,45)(H2,56,57,58)/t24-,25+,26+,27+,28+,32+,33+,34-,38+,39+/m0/s1
InChIKeyZEXWFLNGXVGPOQ-DVNLUXLOSA-N
ChEBI Ontology
Outgoing Relation(s)
bhos#22-CoA (CHEBI:139797) is a organic molecular entity (CHEBI:50860)