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CHEBI:139645 - ascr#1-CoA

ChEBI IDCHEBI:139645
ChEBI Nameascr#1-CoA
Stars
DefinitionAn acyl-CoA resulting from the formal condensation of the thiol group of coenzyme A with the carboxy group of ascr#1.
Last Modified5 January 2021
SubmitterMichael Witting
DownloadsMolfile
FormulaC34H58N7O21P3S
Net Charge0
Average Mass1025.855
Monoisotopic Mass1025.26193
SMILESC[C@H](CCCCC(=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/C34H58N7O21P3S/c1-18(58-33-21(43)13-20(42)19(2)59-33)7-5-6-8-24(45)66-12-11-36-23(44)9-10-37-31(48)28(47)34(3,4)15-57-65(54,55)62-64(52,53)56-14-22-27(61-63(49,50)51)26(46)32(60-22)41-17-40-25-29(35)38-16-39-30(25)41/h16-22,26-28,32-33,42-43,46-47H,5-15H2,1-4H3,(H,36,44)(H,37,48)(H,52,53)(H,54,55)(H2,35,38,39)(H2,49,50,51)/t18-,19+,20-,21-,22-,26-,27-,28+,32-,33-/m1/s1
InChIKeyJHLVPKOFYBDMGA-UCLBOIGHSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
ascr#1-CoA (CHEBI:139645) has functional parent ascr#1 (CHEBI:78786)
ascr#1-CoA (CHEBI:139645) is a acyl-CoA (CHEBI:17984)
ascr#1-CoA (CHEBI:139645) is conjugate acid of ascr#1-CoA(4−) (CHEBI:139646)
Incoming Relation(s)
ascr#1-CoA(4−) (CHEBI:139646) is conjugate base of ascr#1-CoA (CHEBI:139645)