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4-hydroxyphenylacetyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM735077

	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	2

formula

C₂₉H₄₂N₇O₁₈P₃S

charge

mass

901.15199

reference

chebi:28773

InChIKey

GPCAQTOAAYEBGJ-CECATXLMSA-N

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

SMILES

CC(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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:28773 chebi:28773	4-hydroxyphenylacetyl-CoA 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} 4-Hydroxyphenylacetyl-CoA
sabiork.compound:2772 sabiorkM:2772 kegg.compound:C05338 keggC:C05338	4-Hydroxyphenylacetyl-CoA
seed.compound:cpd03165 seedM:cpd03165	4-Hydroxyphenylacetyl-CoA 4-hydroxyphenylacetyl-CoA hphaccoa
metacyc.compound:4-HYDROXYPHENYLACETYL-COA metacycM:4-HYDROXYPHENYLACETYL-COA	4-hydroxyphenylacetyl-CoA
chebi:1876 chebi:20421 keggC:M_C05338 seedM:M_cpd03165	secondary/obsolete/fantasy identifier