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CHEBI:139658 - ascr#23-CoA(4-)

Default Structure
ChEBI IDCHEBI:139658
ChEBI Nameascr#23-CoA(4-)
Stars
DefinitionConjugate base of ascr#23-CoA
SubmitterMichael Witting
DownloadsMolfile
FormulaC41H66N7O21P3S
Net Charge-4
Average Mass1117.996
Monoisotopic Mass1117.32673
SMILESC[C@H](CCCCCCCCC/C=C/C(=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/C41H70N7O21P3S/c1-25(65-40-28(50)20-27(49)26(2)66-40)14-12-10-8-6-5-7-9-11-13-15-31(52)73-19-18-43-30(51)16-17-44-38(55)35(54)41(3,4)22-64-72(61,62)69-71(59,60)63-21-29-34(68-70(56,57)58)33(53)39(67-29)48-24-47-32-36(42)45-23-46-37(32)48/h13,15,23-29,33-35,39-40,49-50,53-54H,5-12,14,16-22H2,1-4H3,(H,43,51)(H,44,55)(H,59,60)(H,61,62)(H2,42,45,46)(H2,56,57,58)/p-4/b15-13+/t25-,26+,27-,28-,29-,33-,34-,35+,39-,40-/m1/s1
InChIKeyUFXVOSFJYVNYID-SHZXPBJVSA-J
ChEBI Ontology
Outgoing Relation(s)
ascr#23-CoA(4-) (CHEBI:139658) is a organic molecular entity (CHEBI:50860)