CHEBI:139801 - bhos#24-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 bhos#24-CoA(4-)
ChEBI ID CHEBI:139801
Definition Conjugate base of bhos#24-CoA
Stars This entity has been manually annotated by a third party.
Submitter Michael Witting
Supplier Information
Download Molfile XML SDF
Formula C41H68N7O22P3S
Net Charge -4
Average Mass 1136.001
Monoisotopic Mass 1135.33729
InChI InChI=1S/C41H72N7O22P3S/c1-25-27(50)20-28(51)40(67-25)64-17-12-10-8-6-4-5-7-9-11-13-26(49)19-31(53)74-18-16-43-30(52)14-15-44-38(56)35(55)41(2,3)22-66-73(62,63)70-72(60,61)65-21-29-34(69-71(57,58)59)33(54)39(68-29)48-24-47-32-36(42)45-23-46-37(32)48/h23-29,33-35,39-40,49-51,54-55H,4-22H2,1-3H3,(H,43,52)(H,44,56)(H,60,61)(H,62,63)(H2,42,45,46)(H2,57,58,59)/p-4/t25-,26+,27+,28+,29+,33+,34+,35-,39+,40+/m0/s1
InChIKey FXHNBRLYRCNMEF-BLRFJLJMSA-J
SMILES C[C@@H]1O[C@@H](OCCCCCCCCCCC[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]([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 bhos#24-CoA(4-) (CHEBI:139801) is a organic molecular entity (CHEBI:50860)