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CHEBI:11010 - (R)-phenyllactoyl-CoA

ChEBI IDCHEBI:11010
ChEBI Name(R)-phenyllactoyl-CoA
Stars
ASCII Name(R)-phenyllactoyl-CoA
DefinitionAn acyl-CoA having (R)-phenyllactoyl as the S-acyl group.
Last Modified18 August 2017
DownloadsMolfile
FormulaC30H44N7O18P3S
Net Charge0
Average Mass915.702
Monoisotopic Mass915.16764
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)/t18-,19-,22-,23-,24+,28-/m1/s1
InChIKeyFKMUDVUPQINOSF-NHZRKUKBSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
(R)-phenyllactoyl-CoA (CHEBI:11010) has functional parent coenzyme A (CHEBI:15346)
(R)-phenyllactoyl-CoA (CHEBI:11010) is a acyl-CoA (CHEBI:17984)
(R)-phenyllactoyl-CoA (CHEBI:11010) is conjugate acid of (R)-phenyllactoyl-CoA(4−) (CHEBI:57254)
Incoming Relation(s)
(R)-phenyllactoyl-CoA(4−) (CHEBI:57254) is conjugate base of (R)-phenyllactoyl-CoA (CHEBI:11010)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(2R)-2-hydroxy-3-phenylpropanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms  Source
(R)-3-phenyllactyl-CoAChEBI
(R)-3-phenyllactyl-coenzyme AChEBI
(R)-phenyllactoyl-coenzyme AChEBI
Manual XrefsDatabases
C16257KEGG COMPOUND