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CHEBI:139616 - ascr#10-CoA

ChEBI IDCHEBI:139616
ChEBI Nameascr#10-CoA
Stars
DefinitionAn acyl-CoA resulting from the formal condensation of the thiol group of coenzyme A with the carboxy group of ascr#10.
Last Modified5 January 2021
SubmitterMichael Witting
DownloadsMolfile
FormulaC36H62N7O21P3S
Net Charge0
Average Mass1053.909
Monoisotopic Mass1053.29323
SMILESC[C@H](CCCCCCC(=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/C36H62N7O21P3S/c1-20(60-35-23(45)15-22(44)21(2)61-35)9-7-5-6-8-10-26(47)68-14-13-38-25(46)11-12-39-33(50)30(49)36(3,4)17-59-67(56,57)64-66(54,55)58-16-24-29(63-65(51,52)53)28(48)34(62-24)43-19-42-27-31(37)40-18-41-32(27)43/h18-24,28-30,34-35,44-45,48-49H,5-17H2,1-4H3,(H,38,46)(H,39,50)(H,54,55)(H,56,57)(H2,37,40,41)(H2,51,52,53)/t20-,21+,22-,23-,24-,28-,29-,30+,34-,35-/m1/s1
InChIKeyRZJQHWLIHIAVBC-OUSLZRTPSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
ascr#10-CoA (CHEBI:139616) has functional parent ascr#10 (CHEBI:78838)
ascr#10-CoA (CHEBI:139616) is a acyl-CoA (CHEBI:17984)
ascr#10-CoA (CHEBI:139616) is conjugate acid of ascr#10-CoA(4−) (CHEBI:139617)
Incoming Relation(s)
ascr#10-CoA(4−) (CHEBI:139617) is conjugate base of ascr#10-CoA (CHEBI:139616)