Structure Database (LMSD)

Common Name
7S,8R-diHETE
Systematic Name
7S,8R-dihydroxy-5Z,9E,11Z,14Z-eicosatetraenoic acid
Synonyms
LM ID
LMFA03060113
Status
Active
Exact Mass
Calculate m/z
336.23006
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
JCPDEYQXMPRZEG-VRMQGLKJSA-N
InChi (Click to copy)
InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-12-15-18(21)19(22)16-13-11-14-17-20(23)24/h6-7,9-10,12-13,15-16,18-19,21-22H,2-5,8,11,14,17H2,1H3,(H,23,24)/b7-6-,10-9-,15-12+,16-13-/t18-,19+/m1/s1
SMILES (Click to copy)
C(CCC/C=C\[C@H](O)[C@H](O)/C=C/C=C\C/C=C\CCCCC)(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Agarophyton chilense (#2510777)
Florideophyceae (#2806)
Phospholipases and galactolipases trigger oxylipin-mediated wound-activated defence in the red alga Gracilaria chilensis against epiphytes.,
Chembiochem, 2006
Pubmed ID: 16482501

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 376.52
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 4.73
Molar Refractivity 99.84

Admin

Created at
19th May 2020
Updated at
2nd Feb 2021