UCSF

ZINC04629861

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2005 23 Yes

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

Find On: PubMed — Wikipedia — Google

CAS Numbers: 54845-95-3 , 73836-87-0 , 84807-87-4

Other Names:

(+/-)15-Hete

(15S)-15-Hydroxy-5,8,11-cis-13-trans-eicosatetraenoate; (15S)-15-Hydroxy-5,8,11-cis-13-trans-eicosatetraenoic acid; (15S)-15-Hydroxy-5,8,11-cis-13-trans-eicosic acid; (15S)-15-Hydroxy-5,8,11-cis-13-trans-icosatetraenoate; (15S)-15-Hydroxy-5,8,11-cis-13-tr

(15S)-15-Hydroxy-5,8,11-cis-13-trans-eicosatetraenoate; (15S)-15-Hydroxy-5,8,11-cis-13-trans-icosatetraenoate; (5Z,8Z,11Z,13E)-(15S)-15-Hydroxyicosa-5,8,11,13-tetraenoic acid; 15(S)-HETE; 54845-95-3; C04742

(15S)-15-hydroxy-5,8,11-cis-13-trans-eicosatetraenoate; (15S)-15-hydroxy-5,8,11-cis-13-trans-icosatetraenoate; CPD-1913

(15S)-15-Hydroxy-5,8,11-cis-13-trans-eicosatetraenoate;(15S)-15-Hydroxy-5,8,11-cis-13-trans-eicosatetraenoic acid;(15S)-15-Hydroxy-5,8,11-cis-13-trans-eicosic acid;(15S)-15-Hydroxy-5,8,11-cis-13-trans-icosatetraenoate;(15S)-15-Hydroxy-5,8,11-cis-13-trans-

(15S)-hydroxy-(5Z,8Z,11Z,13E)-eicosatetraenoate; (15S)-hydroxyeicosa-(5Z,8Z,11Z,13E)-tetraenoate; (5Z,8Z,11Z,13E,15S)-15-hydroxy-5,8,11,13-eicosatetraenoate; (5Z,8Z,11Z,13E,15S)-15-hydroxyeicosa-5,8,11,13-tetraenoate; 15(S)-HETE; 15(S)-hydroxyeicosatetrae

(15S)-hydroxy-(5Z,8Z,11Z,13E)-eicosatetraenoic acid; (15S)-hydroxyeicosa-(5Z,8Z,11Z,13E)-tetraenoic acid; (5Z,8Z,11Z,13E,15S)-15-hydroxy-5,8,11,13-eicosatetraenoic acid; (5Z,8Z,11Z,13E,15S)-15-hydroxyeicosa-5,8,11,13-tetraenoic acid; 15(S)-hydroxyeicosate

(±)15-HETE

15(S)-HETE(1-)

15(S)-HETE-d8

15S-hete

15S-hydroxy-5Z,8Z,11Z,13E-eicosatetraenoic acid

54845-95-3; D08931; Icomucret (USAN)

AL-12959

CHEBI:147; CHEBI:10824; CHEBI:18507

icomucret

Icomucret (INN

MFCD00216113

USAN)

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 12 -44.82 1 3 -1 60 319.465 14 ↓
Lo Low (pH 4.5-6) 5.26 10.02 -7.29 2 3 0 58 320.473 14 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links ALOX8_MOUSE ChEBI
Reactome Database Links REACT_150230; REACT_150245 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 7300 0.31 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
LOX5_RAT P12527 Arachidonate 5-lipoxygenase, Rat 7300 0.31 Binding ≤ 10μM

Direct Reactome Annotations (via ChEBI)

Description Species
Synthesis of 15-eicosatetraenoic acid derivatives

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