(Q27124708)

leukotriene E4 (English)

6 October 2016

chemical formula

C₂₃H₃₆NO₅S⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCCCCC=CCC=CC=CC=CC(C(CCCC(=O)[O-])O)SCC(C(=O)[O-])[NH3+]

1 reference

leukotriene E4 (English)

6 October 2016

isomeric SMILES

CCCCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)[O-])O)SC[C@@H](C(=O)[O-])[NH3+]

1 reference

leukotriene E4 (English)

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

6 October 2016

Identifiers

InChI

1 reference

leukotriene E4 (English)

OTZRAYGBFWZKMX-FRFVZSDQSA-M

6 October 2016

InChIKey

2 references

leukotriene E4 (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-Ammonio-2-carboxylatoethyl]sulfanyl}-5-hydroxy-7,9,11,14-icosatetraenoate (English)

6 October 2016

1 reference

leukotriene E4 (English)

6 October 2016

ChEBI ID

57462

mapping relation type

1 reference

https://www.swisslipids.org/#/downloads

leukotriene E4(1-) (English)

6 October 2016

1 reference

1 reference