UCSF

ZINC12495345

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 20 No

Popular Name: Pristanal Pristanal

Find On: PubMed — Wikipedia — Google

CAS Number: 105373-75-9

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) 6.89 13.06 -4.22 0 1 0 17 282.512 13 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0688555A3; US5741816 IBM Patent Data
UniProt Database Links HACL1_HUMAN; HACL1_MOUSE; HACL1_RAT ChEBI
Reactome Database Links REACT_16919; REACT_17035 ChEBI

Activity (Go SEA)

Direct Reactome Annotations (via ChEBI)

Description Species
Alpha-oxidation of phytanate

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