Record Information
Version1.0
StatusDetected and Quantified
Creation Date2022-04-29 22:45:51 UTC
Update Date2024-04-30 20:40:15 UTC
Metabolite IDMMDBc0049901
Metabolite Identification
Common NameLactyl-CoA
DescriptionLactyl-CoA, also known as lactoyl-CoA, belongs to the class of organic compounds known as acyl coas. These are organic compounds containing a coenzyme A substructure linked to an acyl chain. Thus, lactyl-CoA is considered to be a fatty ester. Based on a literature review a significant number of articles have been published on Lactyl-CoA.
Structure
Synonyms
ValueSource
2-Hydroxypropanoyl CoAChEBI
2-Hydroxypropanoyl coenzyme AChEBI
2-Hydroxypropionyl CoAChEBI
alpha-Hydroxypropanoyl CoAChEBI
alpha-Hydroxypropanoyl coenzyme AChEBI
alpha-Hydroxypropionyl CoAChEBI
alpha-Hydroxypropionyl coenzyme AChEBI
S-(2-Hydroxypropanoyl)coenzyme AChEBI
a-Hydroxypropanoyl CoAGenerator
Α-hydroxypropanoyl CoAGenerator
a-Hydroxypropanoyl coenzyme AGenerator
Α-hydroxypropanoyl coenzyme AGenerator
a-Hydroxypropionyl CoAGenerator
Α-hydroxypropionyl CoAGenerator
a-Hydroxypropionyl coenzyme AGenerator
Α-hydroxypropionyl coenzyme AGenerator
Lactoyl-CoAMeSH
Lactoyl-coenzyme AMeSH
S-(2-HydroxypropanoateHMDB
S-(2-Hydroxypropanoate)coenzyme AHMDB
S-(2-Hydroxypropanoic acidHMDB
Molecular FormulaC24H40N7O18P3S
Average Mass839.597
Monoisotopic Mass839.136337737
IUPAC Name{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-3-{[2-({2-[(2-hydroxypropanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
Traditional NameLactyl-CoA
CAS Registry Number1926-57-4
SMILES
CC(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]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12
InChI Identifier
InChI=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
InChI KeyVIWKEBOLLIEAIL-FBMOWMAESA-N