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CHEBI:139664 - ascr#25-CoA(4-)

Default Structure
ChEBI IDCHEBI:139664
ChEBI Nameascr#25-CoA(4-)
Stars
DefinitionConjugate base of ascr#25-CoA
SubmitterMichael Witting
DownloadsMolfile
FormulaC42H68N7O21P3S
Net Charge-4
Average Mass1132.023
Monoisotopic Mass1131.34238
SMILESC[C@H](CCCCCCCCCC/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/C42H72N7O21P3S/c1-26(66-41-29(51)21-28(50)27(2)67-41)15-13-11-9-7-5-6-8-10-12-14-16-32(53)74-20-19-44-31(52)17-18-45-39(56)36(55)42(3,4)23-65-73(62,63)70-72(60,61)64-22-30-35(69-71(57,58)59)34(54)40(68-30)49-25-48-33-37(43)46-24-47-38(33)49/h14,16,24-30,34-36,40-41,50-51,54-55H,5-13,15,17-23H2,1-4H3,(H,44,52)(H,45,56)(H,60,61)(H,62,63)(H2,43,46,47)(H2,57,58,59)/p-4/b16-14+/t26-,27+,28-,29-,30-,34-,35-,36+,40-,41-/m1/s1
InChIKeyQLEPULYDFSZHPW-LIXKYBONSA-J
ChEBI Ontology
Outgoing Relation(s)
ascr#25-CoA(4-) (CHEBI:139664) is a organic molecular entity (CHEBI:50860)