UCSF

ZINC00388428

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 12 Yes

Popular Name: HOMOGENTISIC ACID HOMOGENTISIC ACID

Find On: PubMed — Wikipedia — Google

CAS Numbers: 451-13-8 , [451-13-8]

Other Names:

(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-Dihyd

(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-Dihydroxyphen

(2,5-Dihydroxyphenyl)acetic acid

(2,5-Dihydroxyphenyl)acetic acid; 2,5-Dihydroxy-alpha-toluic acid; 2,5-Dihydroxybenzeneacetic acid; 2,5-Dihydroxyphenylacetate; 2,5-Dihydroxyphenylacetic acid; Acetic acid, (2,5-dihydroxyphenyl)-; Alcapton; BRN 2692860; Benzeneacetic acid, 2,5-dihydroxy-

(2,5-Dihydroxyphenyl)acetic acid; 2,5-Dihydroxy-alpha-toluic acid; 2,5-Dihydroxybenzeneacetic acid; 2,5-Dihydroxyphenylacetic acid; Acetic acid, (2,5-dihydroxyphenyl)-; Alcapton; BRN 2692860; Benzeneacetic acid, 2,5-dihydroxy-; EINECS 207-192-7; Homogenti

2,5-Dihydroxyphenylacetate; 2,5-Dihydroxyphenylacetic acid; 451-13-8; C00544; Homogentisate; Homogentisic acid

2,5-dihydroxyphenylacetate; homogentisate

2,5-Dihydroxyphenylacetic Acid

2,5-Dihydroxyphenylacetic acid, 97%

2,5-DihydroxyphenylaceticAcid

2-(3,6-DIHYDROXYPHENYL)ACETIC ACID

Benzeneacetic acid,2,5-dihydroxy-

CHEBI:11452; CHEBI:14410; CHEBI:24615

homogentisate

Homogentisic Acid [451-13-8]; (2,5-Dihydroxyphenylacetic acid)

HOMOGENTISIC ACID; [451-13-8]

MFCD00004324

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.80 -0.75 -47.57 2 4 -1 81 167.14 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 147 TCI
mp 150 - 152 MolMall (formerly Molecular Diversity Preservation International)
MP 150-152 °C(lit.) Indofine
Melting_Point 150-152? Alfa-Aesar
ALOGPS_SOLUBILITY 8.10e+00 g/l DrugBank-experimental
mp 95 - 98 MolMall (formerly Molecular Diversity Preservation International)
UniProt Database Links CORI3_ARATH; DGGGP_SULSO; HGD_AGRRK; HGD_ARATH; HGD_BORA1; HGD_BORBR; HGD_BORPA; HGD_BORPD; HGD_BORPE; HGD_BRADU; HGD_BURA4; HGD_BURCA; HGD_BURCC; HGD_BURCH; HGD_BURCJ; HGD_BURCM; HGD_BURM1; HGD_BURM7; HGD_BURM9; HGD_BURMA; HGD_BURMS; HGD_BURP0; HGD_BURP1 ChEBI
Reactome Database Links REACT_1145; REACT_557 ChEBI

Activity (Go SEA)

Direct Reactome Annotations (via ChEBI)

Description Species
Phenylalanine and tyrosine catabolism

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.