CHEBI:139900 - bkos#10-CoA

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name bkos#10-CoA
ChEBI ID CHEBI:139900
Definition CoA ester of bkos#10
Stars This entity has been manually annotated by a third party.
Submitter Michael Witting
Supplier Information
Download Molfile XML SDF
Formula C36H60N7O22P3S
Net Charge 0
Average Mass 1067.884
Monoisotopic Mass 1067.27250
InChI InChI=1S/C36H60N7O22P3S/c1-20-22(45)15-23(46)35(62-20)59-12-7-5-4-6-8-21(44)14-26(48)69-13-11-38-25(47)9-10-39-33(51)30(50)36(2,3)17-61-68(57,58)65-67(55,56)60-16-24-29(64-66(52,53)54)28(49)34(63-24)43-19-42-27-31(37)40-18-41-32(27)43/h18-20,22-24,28-30,34-35,45-46,49-50H,4-17H2,1-3H3,(H,38,47)(H,39,51)(H,55,56)(H,57,58)(H2,37,40,41)(H2,52,53,54)/t20-,22+,23+,24+,28+,29+,30-,34+,35+/m0/s1
InChIKey XYYTYCVYIGZVHC-QNDIWHFOSA-N
SMILES C[C@@H]1O[C@@H](OCCCCCCC(=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]([C@H](O)[C@@H]2OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O
ChEBI Ontology
Outgoing bkos#10-CoA (CHEBI:139900) is a organic molecular entity (CHEBI:50860)