leukotriene-E4

Chemical Formula:

C₂₃H₃₆NO₅S

Molecular Weight:

438.601 Daltons

Monoisotopic Mass:

440.2470690255 Daltons

SMILES:

CCCCCC=CCC=CC=CC=CC(SCC(C(=O)[O-])[N+])C(CCCC([O-])=O)O

InChI:

1S/C23H37NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21(30-18-19(24)23(28)29)20(25)15-14-17-22(26)27/h6-7,9-13,16,19-21,25H,2-5,8,14-15,17-18,24H2,1H3,(H,26,27)(H,28,29)/p-1/b7-6-,10-9-,12-11+,16-13+/t19-,20-,21+/m0/s1

InChIKey:

OTZRAYGBFWZKMX-FRFVZSDQSA-M

Synonyms

(7E,9E,11Z,14Z)-(5S,6R)-6-(cystein-S-yl)-5-hydroxyicosa-7,9,11, 14-tetraenoate
(7E,9E,11Z,14Z)-(5S,6R)-6-(cystein-S-yl)-5- hydroxyeicosa-7,9,11,14-tetraenoate
6-(2-amino-2-carboxy-ethyl)sulfanyl-5-hydroxy-icosa-7,9,11,14- tetraenoic acid

Databases

MetaCyc: 7E9E11Z14Z-5S6R-6-CYSTEIN-S-YL

RefMet: LTE4

MetaboLights: MTBLC57462

HMDB: HMDB02200

ChEBI: 57462

PubChem (CID): 25244953 5280879

KEGG: C05952

Reactome: 266033

Seed: cpd03541

MetaNetX: MNXM1331