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CHEBI:57254 - (R)-phenyllactoyl-CoA(4−)

ChEBI IDCHEBI:57254
ChEBI Name(R)-phenyllactoyl-CoA(4−)
Stars
ASCII Name(R)-phenyllactoyl-CoA(4-)
DefinitionAn acyl-CoA(4−) that is the tetraanion of (R)-phenyllactoyl-CoA, arising from deprotonation of the phosphate and diphosphate OH groups.
Last Modified7 November 2019
DownloadsMolfile
FormulaC30H40N7O18P3S
Net Charge-4
Average Mass911.670
Monoisotopic Mass911.13853
SMILESCC(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-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)[C@H](O)Cc1ccccc1
InChIInChI=1S/C30H44N7O18P3S/c1-30(2,24(41)27(42)33-9-8-20(39)32-10-11-59-29(43)18(38)12-17-6-4-3-5-7-17)14-52-58(49,50)55-57(47,48)51-13-19-23(54-56(44,45)46)22(40)28(53-19)37-16-36-21-25(31)34-15-35-26(21)37/h3-7,15-16,18-19,22-24,28,38,40-41H,8-14H2,1-2H3,(H,32,39)(H,33,42)(H,47,48)(H,49,50)(H2,31,34,35)(H2,44,45,46)/p-4/t18-,19-,22-,23-,24+,28-/m1/s1
InChIKeyFKMUDVUPQINOSF-NHZRKUKBSA-J
ChEBI Ontology
Outgoing Relation(s)
(R)-phenyllactoyl-CoA(4−) (CHEBI:57254) is a acyl-CoA(4−) (CHEBI:58342)
(R)-phenyllactoyl-CoA(4−) (CHEBI:57254) is conjugate base of (R)-phenyllactoyl-CoA (CHEBI:11010)
Incoming Relation(s)
(R)-phenyllactoyl-CoA (CHEBI:11010) is conjugate acid of (R)-phenyllactoyl-CoA(4−) (CHEBI:57254)
IUPAC Name 
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(2R)-2-hydroxy-3-phenylpropanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonyms  Source
(R)-phenyllactoyl-coenzyme A(4−)ChEBI
(R)-3-phenyllactyl-CoA(4−)ChEBI
(R)-phenyllactoyl-CoA tetraanionChEBI
UniProt Name  Source
(R)-3-phenyllactoyl-CoAUniProt