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CHEBI:139839 - bkas#14-CoA

Default Structure
ChEBI IDCHEBI:139839
ChEBI Namebkas#14-CoA
Stars
DefinitionCoA ester of bkas#14
SubmitterMichael Witting
DownloadsMolfile
FormulaC35H58N7O22P3S
Net Charge0
Average Mass1053.865
Monoisotopic Mass1053.25685
SMILESC[C@H](CCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O
InChIInChI=1S/C35H58N7O22P3S/c1-18(60-34-22(45)13-21(44)19(2)61-34)6-5-7-20(43)12-25(47)68-11-10-37-24(46)8-9-38-32(50)29(49)35(3,4)15-59-67(56,57)64-66(54,55)58-14-23-28(63-65(51,52)53)27(48)33(62-23)42-17-41-26-30(36)39-16-40-31(26)42/h16-19,21-23,27-29,33-34,44-45,48-49H,5-15H2,1-4H3,(H,37,46)(H,38,50)(H,54,55)(H,56,57)(H2,36,39,40)(H2,51,52,53)/t18-,19+,21-,22-,23-,27-,28-,29+,33-,34-/m1/s1
InChIKeyGHYLTHAPGVQFBU-JYVUXFISSA-N
ChEBI Ontology
Outgoing Relation(s)
bkas#14-CoA (CHEBI:139839) is a organic molecular entity (CHEBI:50860)