(Q27144334)

(3E,5Z,7E,9E,11R,12S)-11-{[(2R)-2-Amino-2-carboxyethyl]sulfanyl}-12-hydroxy-3,5,7,9-hexadecatetraenedioic acid (English)

8 October 2016

chemical formula

C₁₉H₂₇NO₇S

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C(C(=C(C(=C(C(C(CCCC(=O)O)(O)[H])(SCC(C(=O)O)(N)[H])[H])[H])[H])[H])[H])(=C(C(=C(CC(=O)O)[H])[H])[H])[H]

1 reference

16-carboxy-Delta(13)-17,18,19,20-tetranor-leukotriene E4 (English)

8 October 2016

isomeric SMILES

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

1 reference

16-carboxy-Delta(13)-17,18,19,20-tetranor-leukotriene E4 (English)

InChI=1S/C19H27NO7S/c20-14(19(26)27)13-28-16(15(21)9-8-12-18(24)25)10-6-4-2-1-3-5-7-11-17(22)23/h1-7,10,14-16,21H,8-9,11-13,20H2,(H,22,23)(H,24,25)(H,26,27)/b3-1-,4-2+,7-5?,10-6+/t14-,15-,16+/m0/s1

8 October 2016

Identifiers

InChI

1 reference

16-carboxy-Delta(13)-17,18,19,20-tetranor-leukotriene E4 (English)

MAFGRSDWXFSHMK-GHPSTRGMSA-N

8 October 2016

InChIKey

2 references

16-carboxy-Delta(13)-17,18,19,20-tetranor-leukotriene E4 (English)

8 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(3E,5Z,7E,9E,11R,12S)-11-{[(2R)-2-Amino-2-carboxyethyl]sulfanyl}-12-hydroxy-3,5,7,9-hexadecatetraenedioic acid (English)

8 October 2016

1 reference

26 December 2021

mapping relation type

1 reference

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

16-carboxy-Delta(13)-17,18,19,20-tetranor-leukotriene E4 (English)

8 October 2016

1 reference

1 reference