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CHEBI:139695 - ascr#35-CoA(4-)

Default Structure
ChEBI IDCHEBI:139695
ChEBI Nameascr#35-CoA(4-)
Stars
DefinitionConjugate base of ascr#35-CoA
SubmitterMichael Witting
DownloadsMolfile
FormulaC47H78N7O21P3S
Net Charge-4
Average Mass1202.158
Monoisotopic Mass1201.42063
SMILESC[C@H](CCCCCCCCCCCCCCC/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/C47H82N7O21P3S/c1-31(71-46-34(56)26-33(55)32(2)72-46)20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-37(58)79-25-24-49-36(57)22-23-50-44(61)41(60)47(3,4)28-70-78(67,68)75-77(65,66)69-27-35-40(74-76(62,63)64)39(59)45(73-35)54-30-53-38-42(48)51-29-52-43(38)54/h19,21,29-35,39-41,45-46,55-56,59-60H,5-18,20,22-28H2,1-4H3,(H,49,57)(H,50,61)(H,65,66)(H,67,68)(H2,48,51,52)(H2,62,63,64)/p-4/b21-19+/t31-,32+,33-,34-,35-,39-,40-,41+,45-,46-/m1/s1
InChIKeyXYAXNAMSUNUDIK-YNGOTIRLSA-J
ChEBI Ontology
Outgoing Relation(s)
ascr#35-CoA(4-) (CHEBI:139695) is a organic molecular entity (CHEBI:50860)