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CHEBI:139709 - ascr#5-CoA(4-)

Default Structure
ChEBI IDCHEBI:139709
ChEBI Nameascr#5-CoA(4-)
Stars
DefinitionConjugate base of ascr#5-CoA
SubmitterMichael Witting
DownloadsMolfile
FormulaC30H46N7O21P3S
Net Charge-4
Average Mass965.715
Monoisotopic Mass965.17023
SMILESC[C@@H]1O[C@@H](OCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2OP(=O)([O-])[O-])[C@H](O)C[C@H]1O
InChIInChI=1S/C30H50N7O21P3S/c1-15-16(38)10-17(39)29(55-15)52-8-5-20(41)62-9-7-32-19(40)4-6-33-27(44)24(43)30(2,3)12-54-61(50,51)58-60(48,49)53-11-18-23(57-59(45,46)47)22(42)28(56-18)37-14-36-21-25(31)34-13-35-26(21)37/h13-18,22-24,28-29,38-39,42-43H,4-12H2,1-3H3,(H,32,40)(H,33,44)(H,48,49)(H,50,51)(H2,31,34,35)(H2,45,46,47)/p-4/t15-,16+,17+,18+,22+,23+,24-,28+,29+/m0/s1
InChIKeyHLMBFYDZMWTTKY-NBUDWVCKSA-J
ChEBI Ontology
Outgoing Relation(s)
ascr#5-CoA(4-) (CHEBI:139709) is a organic molecular entity (CHEBI:50860)