Structure Database (LMSD)
Common Name
7R,8R-dihydroxyoleic acid
Systematic Name
7R,8R-dihydroxyoctadec-9Z-enoic acid
Synonyms
LM ID
LMFA02000487
Formula
Exact Mass
Calculate m/z
314.245711
Sum Composition
Status
Curated
3D model of 7R,8R-dihydroxyoleic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Neonothopanus gardneri
(#1069186)
Agaricomycetes
(#155619)
Anthelmintic Potential of Conjugated Long-Chain Fatty Acids Isolated from the Bioluminescent Mushroom <i>Neonothopanus gardneri</i>.,
J Nat Prod, 2025
J Nat Prod, 2025
Pubmed ID:
39754587
String Representations
InChiKey (Click to copy)
WBZXABQRBWTVNN-YVYLTUATSA-N
InChi (Click to copy)
InChI=1S/C18H34O4/c1-2-3-4-5-6-7-8-10-13-16(19)17(20)14-11-9-12-15-18(21)22/h10,13,16-17,19-20H,2-9,11-12,14-15H2,1H3,(H,21,22)/b13-10-/t16-,17-/m1/s1
SMILES (Click to copy)
C(CCCCC[C@@H](O)[C@H](O)/C=C\CCCCCCCC)(=O)O
Calculated Physicochemical Properties
Heavy Atoms
22
Rings
Aromatic Rings
Rotatable Bonds
15
Van der Waals Molecular Volume
349.84
Topological Polar Surface Area
77.76
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
4
logP
4.62
Molar Refractivity
90.89
Admin
Created at
14th Jan 2025
Updated at
14th Jan 2025