Structure Database (LMSD)
Common Name
15-HETE-Gly
Systematic Name
N-(15S-hydroxy-5Z,8Z,11Z,13E-eicosatetraenoyl)-glycine
Synonyms
- 15S-HETE-Gly
LM ID
LMFA08020143
Formula
Exact Mass
Calculate m/z
377.256609
Sum Composition
Status
Active
3D model of 15-HETE-Gly
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)
AFWJZEQUUAAITC-RQYADBJFSA-N
InChi (Click to copy)
InChI=1S/C22H35NO4/c1-2-3-13-16-20(24)17-14-11-9-7-5-4-6-8-10-12-15-18-21(25)23-19-22(26)27/h4-5,8-11,14,17,20,24H,2-3,6-7,12-13,15-16,18-19H2,1H3,(H,23,25)(H,26,27)/b5-4-,10-8-,11-9-,17-14+/t20-/m0/s1
SMILES (Click to copy)
C(NCC(O)=O)(CCC/C=C\C/C=C\C/C=C\C=C\[C@@H](O)CCCCC)=O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Homo sapiens
(#9606)
Mammalia
(#40674)
Endocannabinoid Oxygenation by Cyclooxygenases, Lipoxygenases, and Cytochromes P450: Cross-Talk between the Eicosanoid and Endocannabinoid Signaling Pathways,
Chem Rev, 2011
Chem Rev, 2011
Pubmed ID:
21923193
DOI:
10.1021/cr2002799
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
27
Rings
0
Aromatic Rings
0
Rotatable Bonds
16
Van der Waals Molecular Volume
419.48
Topological Polar Surface Area
86.63
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
4
logP
4.87
Molar Refractivity
111.44
Admin
Created at
-
Updated at
19th Feb 2024