leukotriene E4 (Q2705859)

canonical SMILES

CCCCCC=CCC=CC=CC=CC(C(CCCC(=O)O)O)SCC(C(=O)O)N

1 reference

Leukotriene E4 (English)

12 December 2018

CCCCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)SC[C@@H](C(=O)O)N

1 reference

Recon 2.2: from reconstruction to model of human metabolism

Leukotriene E4 (English)

12 December 2018

2 references

A community-driven global reconstruction of human metabolism.

1 reference

https://reactome.org/PathwayBrowser/#/R-HSA-1430728&DTAB=MT

Identifiers

InChI

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)/b7-6-,10-9-,12-11+,16-13+/t19-,20-,21+/m0/s1

1 reference

Leukotriene E4 (English)

12 December 2018

2 references

Leukotriene E4 (English)

12 December 2018

ChEBI release 2020-09-01

CAS Registry Number

75715-89-8

1 reference

https://commonchemistry.cas.org/detail?cas_rn=75715-89-8

8 April 2021

ChemSpider ID

4444402

1 reference

imported from Wikimedia project

2 references

Leukotriene E4 (English)

PubChem CID

5280879

retrieved

12 December 2018

imported from Wikimedia project

ChEBI ID

15650

mapping relation type

exact match

2 references

English Wikipedia

International Chemical Identifier

InChI

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)/b7-6-,10-9-,12-11+,16-13+/t19-,20-,21+/m0/s1

ChEMBL ID

CHEMBL509456

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

8 February 2021

1 reference

1 reference

DSSTOX compound identifier

DTXCID801326865

0 references

Guide to Pharmacology Ligand ID

3352

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

retrieved

5 February 2021

5863

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

5 February 2021

Leukotriene E4

0 references

MeSH tree code

D10.251.355.255.100.450.855.470

0 references

D10.251.355.310.166.887.855.470

0 references

D23.469.050.175.450.725.425

0 references

Human Metabolome Database ID

HMDB0002200

2 references

based on heuristic

inferred from InChIKey

UNII

8EYT8ATL7G

1 reference