UCSF

ZINC04095494

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 23 No

Popular Name: Leukotriene A4 Leukotriene A4

Find On: PubMed — Wikipedia — Google

CAS Number: 72059-45-1

Other Names:

(5S,6S,7E,9E,11Z,14Z)-5,6-Epoxyicosa-7,9,11,14-tetraenoate; (5S,6S,7E,9E,11Z,14Z)-5,6-Epoxyicosa-7,9,11,14-tetraenoic acid; (7E,9E,11Z,14Z)-(5S,6S)-5,6-Epoxyeicosa-7,9,11,14-tetraenoate; (7E,9E,11Z,14Z)-(5S,6S)-5,6-Epoxyeicosa-7,9,11,14-tetraenoic acid; (

(5S,6S,7E,9E,11Z,14Z)-5,6-Epoxyicosa-7,9,11,14-tetraenoate; (7E,9E,11Z,14Z)-(5S,6S)-5,6-Epoxyeicosa-7,9,11,14-tetraenoate; (7E,9E,11Z,14Z)-(5S,6S)-5,6-Epoxyeicosa-7,9,11,14-tetraenoic acid; (7e,9e,11z,14z)-(5s,6s)-5,6-epoxyicosa-7,9,11,14-tetr; (7E,9E,11Z

(5S,6S,7E,9E,11Z,14Z)-5,6-Epoxyicosa-7,9,11,14-tetraenoate; (7E,9E,11Z,14Z)-(5S,6S)-5,6-Epoxyeicosa-7,9,11,14-tetraenoate; (7E,9E,11Z,14Z)-(5S,6S)-5,6-Epoxyeicosa-7,9,11,14-tetraenoic acid; (7E,9E,11Z,14Z)-(5S,6S)-5,6-Epoxyicosa-7,9,11,14-tetraenoate; 720

(5S,6S,7E,9E,11Z,14Z)-5,6-Epoxyicosa-7,9,11,14-tetraenoate;(5S,6S,7E,9E,11Z,14Z)-5,6-Epoxyicosa-7,9,11,14-tetraenoic acid;(7E,9E,11Z,14Z)-(5S,6S)-5,6-Epoxyeicosa-7,9,11,14-tetraenoate;(7E,9E,11Z,14Z)-(5S,6S)-5,6-Epoxyeicosa-7,9,11,14-tetraenoic acid;(7E,9

(7E,9E,11Z,14Z)-(5S,6S)-5,6-epoxyicosa-7,9,11,14-tetraenoate; 72059-45-1; CPD-8892; LTA4; Leukotriene A(4); Leukotriene A4; leukotriene-A4

5(S)-5,6-oxido-7,9-trans-11,14-cis-eicosatetraenoic acid; 5S,6S-epoxy-7E,9E,11Z,14Z-eicosatetraenoic acid; 5S,6S-leukotriene A4; Oxiranebutanoic acid, 3-(1,3,5,8-tetradecatetraenyl)-, (2S-(2alpha,3beta(1E,3Z,5Z,8Z)))-

5S,6S-epoxy-7E,9E,11Z,14Z-eicosatetraenoic acid

CHEBI:14503; CHEBI:25023; CHEBI:6420; CHEBI:10937

leukotriene A4(1-)

leukotriene A4; leukotriene A4 anion

LTA4

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) 5.46 1.54 -47.87 0 3 -1 52 317.449 13 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links ALOX8_MOUSE; AMPB_HUMAN; AMPB_MOUSE; AMPB_RAT; GSTA3_CHICK; LKA41_PICGU; LKA41_PICST; LKA42_PICGU; LKA42_PICST; LKHA4_AJECN; LKHA4_ARATH; LKHA4_ASHGO; LKHA4_ASPCL; LKHA4_ASPFU; LKHA4_ASPNC; LKHA4_ASPOR; LKHA4_ASPTN; LKHA4_BOTFB; LKHA4_BOVIN; LKHA4_CANAL ChEBI
Reactome Database Links REACT_150189; REACT_150303; REACT_150455; REACT_15413; REACT_15453; REACT_15478 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 Leukotrienes (LT) and Eoxins (EX)
Synthesis of Lipoxins (LX)

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% )