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CHEBI:139825 - bhos#9-CoA

Default Structure
ChEBI IDCHEBI:139825
ChEBI Namebhos#9-CoA
Stars
DefinitionCoA ester of bhos#9
SubmitterMichael Witting
DownloadsMolfile
FormulaC32H54N7O22P3S
Net Charge0
Average Mass1013.800
Monoisotopic Mass1013.22555
SMILESC[C@@H]1O[C@@H](OCC[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/C32H54N7O22P3S/c1-16-18(41)11-19(42)31(58-16)55-8-5-17(40)10-22(44)65-9-7-34-21(43)4-6-35-29(47)26(46)32(2,3)13-57-64(53,54)61-63(51,52)56-12-20-25(60-62(48,49)50)24(45)30(59-20)39-15-38-23-27(33)36-14-37-28(23)39/h14-20,24-26,30-31,40-42,45-46H,4-13H2,1-3H3,(H,34,43)(H,35,47)(H,51,52)(H,53,54)(H2,33,36,37)(H2,48,49,50)/t16-,17+,18+,19+,20+,24+,25+,26-,30+,31+/m0/s1
InChIKeyTWKBKZFHWVXQLR-FLBLPZDGSA-N
ChEBI Ontology
Outgoing Relation(s)
bhos#9-CoA (CHEBI:139825) is a organic molecular entity (CHEBI:50860)