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

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ChEBI Name (R)-phenyllactoyl-CoA(4−)
ChEBI ID CHEBI:57254
ChEBI ASCII Name (R)-phenyllactoyl-CoA(4-)
Definition An acyl-CoA(4−) that is the tetraanion of (R)-phenyllactoyl-CoA, arising from deprotonation of the phosphate and diphosphate OH groups.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C30H40N7O18P3S
Net Charge -4
Average Mass 911.66100
Monoisotopic Mass 911.13853
InChI InChI=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
InChIKey FKMUDVUPQINOSF-NHZRKUKBSA-J
SMILES CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)[C@H](O)Cc1ccccc1
ChEBI Ontology
Outgoing (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 (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 Sources
(R)-3-phenyllactoyl-CoA UniProt
(R)-3-phenyllactyl-CoA(4−) ChEBI
(R)-phenyllactoyl-CoA tetraanion ChEBI
(R)-phenyllactoyl-coenzyme A(4−) ChEBI
Last Modified
07 November 2019