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CHEBI:15529 - lactoyl-CoA

ChEBI IDCHEBI:15529
ChEBI Namelactoyl-CoA
Stars
DefinitionAn acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of lactic acid.
Secondary ChEBI IDsCHEBI:6356, CHEBI:14499, CHEBI:25008
Last Modified3 August 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC24H40N7O18P3S
Net Charge0
Average Mass839.604
Monoisotopic Mass839.13634
SMILESCC(O)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
InChIInChI=1S/C24H40N7O18P3S/c1-12(32)23(37)53-7-6-26-14(33)4-5-27-21(36)18(35)24(2,3)9-46-52(43,44)49-51(41,42)45-8-13-17(48-50(38,39)40)16(34)22(47-13)31-11-30-15-19(25)28-10-29-20(15)31/h10-13,16-18,22,32,34-35H,4-9H2,1-3H3,(H,26,33)(H,27,36)(H,41,42)(H,43,44)(H2,25,28,29)(H2,38,39,40)/t12?,13-,16-,17-,18+,22-/m1/s1
InChIKeyVIWKEBOLLIEAIL-FBMOWMAESA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
lactoyl-CoA (CHEBI:15529) has functional parent rac-lactic acid (CHEBI:28358)
lactoyl-CoA (CHEBI:15529) is a hydroxyacyl-CoA (CHEBI:62618)
lactoyl-CoA (CHEBI:15529) is conjugate acid of lactoyl-CoA(4−) (CHEBI:57382)
Incoming Relation(s)
(R)-lactoyl-CoA (CHEBI:71164) is a lactoyl-CoA (CHEBI:15529)
lactoyl-CoA(4−) (CHEBI:57382) is conjugate base of lactoyl-CoA (CHEBI:15529)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(2-hydroxypropanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms  Source
Lactoyl-CoAKEGG COMPOUND
2-hydroxypropanoyl coenzyme AChEBI
2-hydroxypropanoyl CoAChEBI
α-hydroxypropanoyl coenzyme AChEBI
α-hydroxypropanoyl CoAChEBI
α-hydroxypropionyl CoAChEBI
Manual XrefsDatabases
C00827KEGG COMPOUND
C00827KEGG COMPOUND
c0151UM-BBD
Registry NumbersSources
CAS:1926-57-4ChemIDplus
Citations