EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:139780 - bhos#12-CoA(4-)

Default Structure
ChEBI IDCHEBI:139780
ChEBI Namebhos#12-CoA(4-)
Stars
DefinitionConjugate base of bhos#12-CoA
SubmitterMichael Witting
DownloadsMolfile
FormulaC33H52N7O22P3S
Net Charge-4
Average Mass1023.795
Monoisotopic Mass1023.21209
SMILESC[C@@H]1O[C@@H](OCCC[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/C33H56N7O22P3S/c1-17-19(42)12-20(43)32(59-17)56-9-4-5-18(41)11-23(45)66-10-8-35-22(44)6-7-36-30(48)27(47)33(2,3)14-58-65(54,55)62-64(52,53)57-13-21-26(61-63(49,50)51)25(46)31(60-21)40-16-39-24-28(34)37-15-38-29(24)40/h15-21,25-27,31-32,41-43,46-47H,4-14H2,1-3H3,(H,35,44)(H,36,48)(H,52,53)(H,54,55)(H2,34,37,38)(H2,49,50,51)/p-4/t17-,18+,19+,20+,21+,25+,26+,27-,31+,32+/m0/s1
InChIKeyUGENGPKSXSGTSW-XTKLXGSESA-J
ChEBI Ontology
Outgoing Relation(s)
bhos#12-CoA(4-) (CHEBI:139780) is a organic molecular entity (CHEBI:50860)