Structure Database (LMSD)

Common Name
5-formyl-2-hydroxyhepta-2,4-dienedioic acid
Systematic Name
5-formyl-2-hydroxyhepta-2,4-dienedioic acid
Synonyms
LM ID
LMFA01030989
Status
Active
Exact Mass
Calculate m/z
200.03209
Formula
C8H8O6
Abbrev
FA 8:4;O4
Show lipids differing only in stereochemistry/bond geometry
Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Hydroxy fatty acids [FA0105]

String Representations

InChiKey (Click to copy)
NLXIEJRQAIHYPN-IOBHVTPZSA-N
InChi (Click to copy)
InChI=1S/C8H8O6/c9-4-5(3-7(11)12)1-2-6(10)8(13)14/h1-2,4,10H,3H2,(H,11,12)(H,13,14)/b5-1-,6-2-
SMILES (Click to copy)
C(=O)(O)/C(/O)=C/C=C(\C([H])=O)/CC(=O)O

References

Other Databases

CHEBI ID
17142
PubChem CID
5280709

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 186.50
Topological Polar Surface Area 111.90
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 0.11
Molar Refractivity 44.75

Admin

Created at
-
Updated at
-