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homogentisate

Properties

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Occurences in reactions

MNX_ID

MNXM345

	#reac
in my sandbox	0
in MNXref (generic)	24
in models (compartimentalized)	16

formula

C₈H₇O₄

charge

-1

mass

167.03498

reference

chebi:16169

InChIKey

IGMNYECMUMZDDF-UHFFFAOYSA-M

InChI

InChI=1S/C8H8O4/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)/p-1

SMILES

O=C([O-])Cc1cc(O)ccc1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-30337 reactomeM:R-ALL-30337 CHEBI:16169 chebi:16169	homogentisate (2,5-dihydroxyphenyl)acetate
bigg.metabolite:hgentis biggM:hgentis envipath:...c39ba3e563bb envipathM:...c39ba3e563bb	Homogentisate
seed.compound:cpd00426 seedM:cpd00426	Homogentisate 2,5-Dihydroxyphenylacetate 2,5-Dihydroxyphenylacetic acid 2,5-dihydroxyphenylacetate Homogentisic acid hgentis homogentisate
sabiork.compound:5134 sabiorkM:5134 kegg.compound:C00544 keggC:C00544	Homogentisate 2,5-Dihydroxyphenylacetate 2,5-Dihydroxyphenylacetic acid Homogentisic acid
hmdb:HMDB0000130	Homogentisic acid (2,5-Dihydroxyphenyl)-acetate (2,5-Dihydroxyphenyl)-acetic acid 2,5-Dihydroxy-a-toluate 2,5-Dihydroxy-a-toluic acid 2,5-Dihydroxy-alpha-toluate 2,5-Dihydroxy-alpha-toluic acid 2,5-Dihydroxy-benzeneacetate 2,5-Dihydroxy-benzeneacetic acid 2,5-Dihydroxyphenylacetate 2,5-Dihydroxyphenylacetic acid 2-(2,5-dihydroxyphenyl)acetic acid 2-(3,6-DIHYDROXYPHENYL)acetIC ACID 2-(3,6-DIHYDROXYPHENYL)acetate Acid, homogentisic Alcapton Homogentisate Homogentisate acid Homogentisinate Homogentisinic acid Melanic acid homogentisic acid
envipath:...01ace702e3db envipathM:...01ace702e3db	compound 0055947
metacyc.compound:HOMOGENTISATE metacycM:HOMOGENTISATE	homogentisate 2,5-dihydroxyphenylacetate
CHEBI:44747 chebi:44747	homogentisic acid (2,5-dihydroxyphenyl)acetic acid 2,5-Dihydroxyphenylacetic acid 2-(3,6-DIHYDROXYPHENYL)ACETIC ACID Homogentisic acid
hmdb:HMDB00130 chebi:11452 chebi:14410 chebi:24615 chebi:44744 chebi:5755 biggM:M_hgentis keggC:M_C00544 seedM:M_cpd00426	secondary/obsolete/fantasy identifier