20-hydroxy-leukotriene-E4

Chemical Formula:

C₂₃H₃₆NO₆S

Molecular Weight:

454.6 Daltons

Monoisotopic Mass:

456.2419836476 Daltons

SMILES:

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

InChI:

1S/C23H37NO6S/c24-19(23(29)30)18-31-21(20(26)14-13-16-22(27)28)15-11-9-7-5-3-1-2-4-6-8-10-12-17-25/h2-5,7,9,11,15,19-21,25-26H,1,6,8,10,12-14,16-18,24H2,(H,27,28)(H,29,30)/p-1/b4-2-,5-3-,9-7+,15-11+/t19-,20-,21+/m0/s1

InChIKey:

BJRMBXPQAMDCMG-CMJQBAFXSA-M

Synonyms

(5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-ammonio-2-carboxylatoethyl]sulfanyl}-5,20-dihydroxyicosa-7,9,11,14-tetraenoate

Databases

MetaCyc: 20-HYDROXY-LEUKOTRIENE-E4

RefMet: 20-hydroxy-LTE4

MetaboLights: MTBLC58584

HMDB: HMDB12639

ChEBI: 58584

PubChem (CID): 25244791

KEGG: C03577

CAS: 111844-33-8

Seed: cpd02247

MetaNetX: MNXM3823