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CHEBI:28773 - 4-hydroxyphenylacetyl-CoA

ChEBI IDCHEBI:28773
ChEBI Name4-hydroxyphenylacetyl-CoA
Stars
Secondary ChEBI IDsCHEBI:1876, CHEBI:20421
Last Modified27 January 2016
DownloadsMolfile
FormulaC29H42N7O18P3S
Net Charge0
Average Mass901.675
Monoisotopic Mass901.15199
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)Cc1ccc(O)cc1
InChIInChI=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
InChIKeyGPCAQTOAAYEBGJ-CECATXLMSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
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-CoAKEGG COMPOUND
Manual XrefsDatabases
C05338KEGG COMPOUND