20-hydroxy-leukotriene E4 (Q27103842)

20-hydroxy-LTE4 (English)

5 October 2016

chemical formula

C₂₃H₃₇NO₆S

1 reference

20-hydroxy-LTE4 (English)

5 October 2016

canonical SMILES

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

1 reference

20-hydroxy-LTE4 (English)

5 October 2016

isomeric SMILES

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

1 reference

Recon 2.2: from reconstruction to model of human metabolism

20-hydroxy-LTE4 (English)

5 October 2016

2 references

stated in

A community-driven global reconstruction of human metabolism.

Identifiers

InChI

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)/b4-2-,5-3-,9-7+,15-11+/t19-,20-,21+/m0/s1

1 reference

20-hydroxy-LTE4 (English)

BJRMBXPQAMDCMG-CMJQBAFXSA-N

5 October 2016

InChIKey

2 references

20-hydroxy-LTE4 (English)

BJRMBXPQAMDCMG-CMJQBAFXSA-N

5 October 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

111844-33-8

1 reference

InChIKey

8 April 2021

https://commonchemistry.cas.org/detail?cas_rn=111844-33-8

1 reference

(5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-Amino-2-carboxyethyl]sulfanyl}-5,20-dihydroxy-7,9,11,14-icosatetraenoic acid (English)

5 October 2016

1 reference

20-hydroxy-LTE4 (English)

5 October 2016

ChEBI ID

28700

mapping relation type

2 references

20-hydroxy-leukotriene E4 (English)