CHEBI:139746 - bhas#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 bhas#24-CoA(4-)
ChEBI ID CHEBI:139746
Definition Conjugate base of bhas#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/c1-24(66-40-28(51)19-27(50)25(2)67-40)12-10-8-6-5-7-9-11-13-26(49)18-31(53)74-17-16-43-30(52)14-15-44-38(56)35(55)41(3,4)21-65-73(62,63)70-72(60,61)64-20-29-34(69-71(57,58)59)33(54)39(68-29)48-23-47-32-36(42)45-22-46-37(32)48/h22-29,33-35,39-40,49-51,54-55H,5-21H2,1-4H3,(H,43,52)(H,44,56)(H,60,61)(H,62,63)(H2,42,45,46)(H2,57,58,59)/p-4/t24-,25+,26-,27-,28-,29-,33-,34-,35+,39-,40-/m1/s1
InChIKey FYBKTGFMMIVAMX-BFCOYXHPSA-J
SMILES C[C@H](CCCCCCCCC[C@@H](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]([C@H](O)[C@@H]1OP([O-])([O-])=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O
ChEBI Ontology
Outgoing bhas#24-CoA(4-) (CHEBI:139746) is a organic molecular entity (CHEBI:50860)