EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:139908 - bkos#14-CoA

Default Structure
ChEBI IDCHEBI:139908
ChEBI Namebkos#14-CoA
Stars
DefinitionCoA ester of bkos#14
SubmitterMichael Witting
DownloadsMolfile
FormulaC35H58N7O22P3S
Net Charge0
Average Mass1053.865
Monoisotopic Mass1053.25685
SMILESC[C@@H]1O[C@@H](OCCCCCC(=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/C35H58N7O22P3S/c1-19-21(44)14-22(45)34(61-19)58-11-6-4-5-7-20(43)13-25(47)68-12-10-37-24(46)8-9-38-32(50)29(49)35(2,3)16-60-67(56,57)64-66(54,55)59-15-23-28(63-65(51,52)53)27(48)33(62-23)42-18-41-26-30(36)39-17-40-31(26)42/h17-19,21-23,27-29,33-34,44-45,48-49H,4-16H2,1-3H3,(H,37,46)(H,38,50)(H,54,55)(H,56,57)(H2,36,39,40)(H2,51,52,53)/t19-,21+,22+,23+,27+,28+,29-,33+,34+/m0/s1
InChIKeyYTQUEXXGYCWVEC-DMONYOBISA-N
ChEBI Ontology
Outgoing Relation(s)
bkos#14-CoA (CHEBI:139908) is a organic molecular entity (CHEBI:50860)