UCSF

ZINC04546338

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2005 23 Yes

Popular Name: 5-HETE 5-HETE

Find On: PubMed — Wikipedia — Google

CAS Numbers: 70608-72-9 , 73307-52-5

Other Names:

(+/-)5-Hete

(5S,6E,8Z,11Z,14Z)-5-hydroxyeicosa-6,8,11,14-tetraenoic acid; (S)-(E,Z,Z,Z)-5-hydroxyeicosa-6,8,11,14-tetraenoic acid; 5(S)-hydroxy-6(E),8(Z),11(Z),14(Z)-eicosatetraenoic acid; 5(S)-hydroxyeicosatetraenoic acid; 5S-HETE; 6,8,11,14-Eicosatetraenoic acid, 5

(6E,8Z,11Z,14Z)-(5S)-5-Hydroxyicosa-6,8,11,14-tetraenoic acid; 5(S)-HETE; 5-HETE; 5-Hydroxyeicosatetraenoate; 70608-72-9; C04805

(6E,8Z,11Z,14Z)-5-hydroxy-6,8,11,14-eicosatetraenoic acid; (6E,8Z,11Z,14Z)-5-hydroxyeicosa-6,8,11,14-tetraenoic acid; 5-OH 6t,8c,11c,14c-20:4; 5-hydroxy,6E,8Z,11Z,14Z-eicosatetraenoic acid; 5-hydroxy-6(E),8(Z),11(Z),14(Z)-eicosatetraenoic acid; 5-hydroxy-

(6E,8Z,11Z,14Z)-5-hydroxyeicosa-6,8,11,14-tetraenoate; 5-hydroxy-6E,8Z,11Z,14Z-eicosatetraenoate

(±)5-HETE

5(S)-HETE

5(S)-HETE; 5(S)-Hydroxy-6-trans-8,11,14-cis-eicosatetraenoate; 5(S)-Hydroxy-6-trans-8,11,14-cis-eicosatetraenoic acid; 5(S)-Hydroxyeicosatetraenoate; 5(S)-Hydroxyeicosatetraenoic acid; 5-HETE; 5-Hydroxy-6,8,11,14-eicosatetraenoate; 5-Hydroxy-6,8,11,14-eic

5(S)-HETE;5(S)-Hydroxy-6-trans-8,11,14-cis-eicosatetraenoate;5(S)-Hydroxy-6-trans-8,11,14-cis-eicosatetraenoic acid;5(S)-Hydroxyeicosatetraenoate;5(S)-Hydroxyeicosatetraenoic acid;5-HETE;5-Hydroxy-6,8,11,14-eicosatetraenoate;5-Hydroxy-6,8,11,14-eicosatetr

5-HETE; 5-Hydroxy-6,8,11,14-eicosatetraenoic acid; 5-Hydroxyeicosatetraenoic acid; 6,8,11,14-Eicosatetraenoic acid, 5-hydroxy-, (S-(E,Z,Z,Z))-; LS-63797

5-hydroxy-6E,8Z,11Z,14Z-icosatetraenoate

5-Hydroxyeicosatetraenoic acid

5S-HETE

5S-hydroxy-6E,8Z,11Z,14Z-eicosatetraenoic acid

CHEBI:119673

CHEBI:2068; CHEBI:20581

DNC000087

MFCD00065818

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) 5.26 11.99 -45.99 1 3 -1 60 319.465 14 ↓

Vendor Notes

Note Type Comments Provided By
Patent Database Links EP1932516 ChEBI
Reactome Database Links REACT_150133; REACT_150143 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 2000 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
LOX5_HUMAN P09917 Arachidonate 5-lipoxygenase, Human 2000 0.35 Binding ≤ 10μM

Direct Reactome Annotations (via ChEBI)

Description Species
Synthesis of 5-eicosatetraenoic acids

Reactome Annotations from Targets (via Uniprot)

Description Species
Synthesis of 5-eicosatetraenoic acids
Synthesis of Leukotrienes (LT) and Eoxins (EX)
Synthesis of Lipoxins (LX)

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