(Q27144336)

Leukotriene E3 (English)

8 October 2016

chemical formula

C₂₃H₃₉NO₅S

1 reference

Leukotriene E3 (English)

8 October 2016

canonical SMILES

CCCCCCCCC=CC=CC=CC(C(CCCC(=O)O)O)SCC(C(=O)O)N

1 reference

Leukotriene E3 (English)

8 October 2016

isomeric SMILES

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

1 reference

Leukotriene E3 (English)

InChI=1S/C23H39NO5S/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/h9-13,16,19-21,25H,2-8,14-15,17-18,24H2,1H3,(H,26,27)(H,28,29)/b10-9-,12-11+,16-13+/t19-,20-,21+/m0/s1

8 October 2016

Identifiers

InChI

1 reference

Leukotriene E3 (English)

KRTWHKZMWCZCIK-VRZYSOTLSA-N

8 October 2016

InChIKey

2 references

Leukotriene E3 (English)

8 October 2016

stated in

ChEBI release 2020-09-01

1 reference

Leukotriene E3 (English)

8 October 2016

2 references

Leukotriene E3 (English)

matched by identifier from

8 October 2016

InChIKey

KRTWHKZMWCZCIK-VRZYSOTLSA-N

Reaxys registry number

5999071

1 reference

leukotriene E3 (English)

8 October 2016

ChEBI ID

74018

mapping relation type

2 references

leukotriene E3 (English)

matched by identifier from

8 October 2016

International Chemical Identifier

InChI

InChI=1S/C23H39NO5S/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/h9-13,16,19-21,25H,2-8,14-15,17-18,24H2,1H3,(H,26,27)(H,28,29)/b10-9-,12-11+,16-13+/t19-,20-,21+/m0/s1

1 reference

Human Metabolome Database ID

HMDB0002355

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

KRTWHKZMWCZCIK-VRZYSOTLSA-N

1 reference

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download