UCSF

ZINC08220105

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 4th, 2006 24 No

Popular Name: 15(S)-HpETE 15(S)-HpETE

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CAS Number: 70981-96-3

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) 5.56 -0.08 -48.18 1 4 -1 69 335.464 15 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links ALOX8_MOUSE; LOX15_BOVIN; LOX15_HUMAN; LOX15_MOUSE; LOX15_PIG; LOX15_PONAB; LOX15_RABIT; LOX15_RAT; LOXA_PSEAE; LOXE3_HUMAN; LX15B_HUMAN; LX15B_RAT; YGHU_ECOLI ChEBI
UniProt Database Links LOX15_BOVIN; LOX15_HUMAN; LOX15_MOUSE; LOX15_PIG; LOX15_PONAB; LOX15_RABIT; LOX15_RAT; LOXA_PSEAE; LX15B_HUMAN; LX15B_RAT ChEBI
Reactome Database Links REACT_150130; REACT_150156; REACT_150230 ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LOX5-2-E Arachidonate 5-lipoxygenase (cluster #2 Of 6), Eukaryotic Eukaryotes 3400 0.32 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
LOX5_RAT P12527 Arachidonate 5-lipoxygenase, Rat 3400 0.32 Binding ≤ 10μM

Direct Reactome Annotations (via ChEBI)

Description Species
Synthesis of 15-eicosatetraenoic acid derivatives
Synthesis of Lipoxins (LX)

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