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CHEBI:189557 - 4-hydroxyphenylacetyl-CoA(4−)

Default Structure
ChEBI IDCHEBI:189557
ChEBI Name4-hydroxyphenylacetyl-CoA(4−)
Stars
ASCII Name4-hydroxyphenylacetyl-CoA(4-)
DefinitionTetraanion of 4-hydroxyphenylacetyl-CoA arising from deprotonation of phosphate and diphosphate functions; major microspecies at pH 7.3
SubmitterAnne Morgat
DownloadsMolfile
FormulaC29H38N7O18P3S
Net Charge-4
Average Mass897.643
Monoisotopic Mass897.12288
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)/p-4/t18-,22-,23-,24+,28-/m1/s1
InChIKeyGPCAQTOAAYEBGJ-CECATXLMSA-J
ChEBI Ontology
Outgoing Relation(s)
4-hydroxyphenylacetyl-CoA(4−) (CHEBI:189557) has functional parent phenylacetyl-CoA(4−) (CHEBI:57390)
4-hydroxyphenylacetyl-CoA(4−) (CHEBI:189557) is a acyl-CoA(4−) (CHEBI:58342)
UniProt Name  Source
4-hydroxyphenylacetyl-CoAUniProt
Manual XrefsDatabases
4-HYDROXYPHENYLACETYL-COAMetaCyc
Citations