CHEBI:28773 - 4-hydroxyphenylacetyl-CoA

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-hydroxyphenylacetyl-CoA
ChEBI ID CHEBI:28773
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:1876, CHEBI:20421
Supplier Information ZINC000196105913
Download Molfile XML SDF
Formula C29H42N7O18P3S
Net Charge 0
Average Mass 901.66744
Monoisotopic Mass 901.15199
InChI InChI=1S/C29H42N7O18P3S/c1-29(2,24(41)27(42)32-8-7-19(38)31-9-10-58-20(39)11-16-3-5-17(37)6-4-16)13-51-57(48,49)54-56(46,47)50-12-18-23(53-55(43,44)45)22(40)28(52-18)36-15-35-21-25(30)33-14-34-26(21)36/h3-6,14-15,18,22-24,28,37,40-41H,7-13H2,1-2H3,(H,31,38)(H,32,42)(H,46,47)(H,48,49)(H2,30,33,34)(H2,43,44,45)/t18-,22-,23-,24+,28-/m1/s1
InChIKey GPCAQTOAAYEBGJ-CECATXLMSA-N
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)Cc1ccc(O)cc1
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Roles Classification
Chemical Role(s): acyl donor
Any donor that can transfer acyl groups between molecular entities.
(via acyl-CoA )
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 4-hydroxyphenylacetyl-CoA (CHEBI:28773) has functional parent 4-hydroxyphenylacetic acid (CHEBI:18101)
4-hydroxyphenylacetyl-CoA (CHEBI:28773) has functional parent phenylacetyl-CoA (CHEBI:15537)
4-hydroxyphenylacetyl-CoA (CHEBI:28773) has role mouse metabolite (CHEBI:75771)
4-hydroxyphenylacetyl-CoA (CHEBI:28773) is a phenylacetyl-CoAs (CHEBI:25981)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(4-hydroxyphenyl)acetyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonym Source
4-Hydroxyphenylacetyl-CoA KEGG COMPOUND
Manual Xref Database
C05338 KEGG COMPOUND
View more database links
Last Modified
27 January 2016