Structure Database (LMSD)
Common Name
16-carboxy-17,18,19,20-tetranor-leukotriene E3
Systematic Name
(5Z,7E,9E,11R,12S)-11-(L-cystein-S-yl)-12-hydroxyhexadeca-5,7,9-trienedioic acid;(5Z,7E,9E,11R,12S)-11-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-12-hydroxyhexadeca-5,7,9-trienedioic acid
Synonyms
- 15-carboxy-14,15-dihydro-16,17,18,19,20-pentanor-leukotriene E4
- 16-carboxy-14,15-dihydro-17,18,19,20-tetranor-LTE4
- 16-carboxy-14,15-dihydro-17,18,19,20-tetranor-leukotriene E4
3D model of 16-carboxy-17,18,19,20-tetranor-leukotriene E3
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
LDJCPGIDJQSRGG-XFJBKEMKSA-N
InChi (Click to copy)
InChI=1S/C19H29NO7S/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/h1-4,6,10,14-16,21H,5,7-9,11-13,20H2,(H,22,23)(H,24,25)(H,26,27)/b3-1-,4-2+,10-6+/t14-,15-,16+/m0/s1
SMILES (Click to copy)
C(CCC(=O)O)/C=C\C=C\C=C\[C@@H](SC[C@@H](C(O)=O)N)[C@H](CCCC(O)=O)O
References
Calculated Physicochemical Properties
Heavy Atoms
28
Rings
0
Aromatic Rings
0
Rotatable Bonds
16
Van der Waals Molecular Volume
412.46
Topological Polar Surface Area
158.15
Hydrogen Bond Donors
5
Hydrogen Bond Acceptors
8
logP
3.18
Molar Refractivity
110.28
Admin
Created at
-
Updated at
20th Jan 2022