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CHEBI:139692 - ascr#34-CoA(4-)

Default Structure
ChEBI IDCHEBI:139692
ChEBI Nameascr#34-CoA(4-)
Stars
DefinitionConjugate base of ascr#34-CoA
SubmitterMichael Witting
DownloadsMolfile
FormulaC46H78N7O21P3S
Net Charge-4
Average Mass1190.147
Monoisotopic Mass1189.42063
SMILESC[C@H](CCCCCCCCCCCCCCCCC(=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/C46H82N7O21P3S/c1-30(70-45-33(55)25-32(54)31(2)71-45)19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-36(57)78-24-23-48-35(56)21-22-49-43(60)40(59)46(3,4)27-69-77(66,67)74-76(64,65)68-26-34-39(73-75(61,62)63)38(58)44(72-34)53-29-52-37-41(47)50-28-51-42(37)53/h28-34,38-40,44-45,54-55,58-59H,5-27H2,1-4H3,(H,48,56)(H,49,60)(H,64,65)(H,66,67)(H2,47,50,51)(H2,61,62,63)/p-4/t30-,31+,32-,33-,34-,38-,39-,40+,44-,45-/m1/s1
InChIKeyVXRIAHGMUGBBCY-LHEWSEIRSA-J
ChEBI Ontology
Outgoing Relation(s)
ascr#34-CoA(4-) (CHEBI:139692) is a organic molecular entity (CHEBI:50860)