CHEBI:139947 - bkos#32-CoA(4-)

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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#32-CoA(4-)
ChEBI ID CHEBI:139947
Definition Conjugate base of bkos#32-CoA
Stars This entity has been manually annotated by a third party.
Submitter Michael Witting
Supplier Information
Download Molfile XML SDF
Formula C45H74N7O22P3S
Net Charge -4
Average Mass 1190.092
Monoisotopic Mass 1189.38424
InChI InChI=1S/C45H78N7O22P3S/c1-29-31(54)24-32(55)44(71-29)68-21-16-14-12-10-8-6-4-5-7-9-11-13-15-17-30(53)23-35(57)78-22-20-47-34(56)18-19-48-42(60)39(59)45(2,3)26-70-77(66,67)74-76(64,65)69-25-33-38(73-75(61,62)63)37(58)43(72-33)52-28-51-36-40(46)49-27-50-41(36)52/h27-29,31-33,37-39,43-44,54-55,58-59H,4-26H2,1-3H3,(H,47,56)(H,48,60)(H,64,65)(H,66,67)(H2,46,49,50)(H2,61,62,63)/p-4/t29-,31+,32+,33+,37+,38+,39-,43+,44+/m0/s1
InChIKey APBHWNXEAUZPBJ-YCHRLHCWSA-J
SMILES C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCC(=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#32-CoA(4-) (CHEBI:139947) is a organic molecular entity (CHEBI:50860)