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CHEBI:57382 - lactoyl-CoA(4−)

ChEBI IDCHEBI:57382
ChEBI Namelactoyl-CoA(4−)
Stars
ASCII Namelactoyl-CoA(4-)
DefinitionAn acyl-CoA(4−) that is the tetraanion of lactoyl-CoA arising from deprotonation of phosphate and diphosphate functions.
Last Modified29 March 2017
DownloadsMolfile
FormulaC24H36N7O18P3S
Net Charge-4
Average Mass835.572
Monoisotopic Mass835.10723
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)/p-4/t12?,13-,16-,17-,18+,22-/m1/s1
InChIKeyVIWKEBOLLIEAIL-FBMOWMAESA-J
ChEBI Ontology
Outgoing Relation(s)
lactoyl-CoA(4−) (CHEBI:57382) is a acyl-CoA(4−) (CHEBI:58342)
lactoyl-CoA(4−) (CHEBI:57382) is conjugate base of lactoyl-CoA (CHEBI:15529)
Incoming Relation(s)
(R)-lactoyl-CoA(4−) (CHEBI:70980) is a lactoyl-CoA(4−) (CHEBI:57382)
(S)-lactoyl-CoA(4−) (CHEBI:231528) is a lactoyl-CoA(4−) (CHEBI:57382)
lactoyl-CoA (CHEBI:15529) is conjugate acid of lactoyl-CoA(4−) (CHEBI:57382)
IUPAC Name 
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(2-hydroxypropanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonyms  Source
α-hydroxypropanoyl CoA(4−)ChEBI
lactoyl-CoA tetraanionChEBI
2-hydroxypropanoyl CoA(4−)ChEBI
lactoyl-coenzyme A(4−)ChEBI
UniProt Name  Source
lactoyl-CoAUniProt