Structure Database (LMSD)

Common Name
7,10-dihydroxy-8E-octadecenoic acid
Systematic Name
7,10-dihydroxy-8E-octadecenoic acid
Synonyms
LM ID
LMFA02000327
Formula
C18H34O4
Exact Mass
Calculate m/z
314.24571
Sum Composition
FA 18:1;O2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Octadecanoids [FA02]
Other Octadecanoids [FA0200]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Hydroxy fatty acids [FA0105]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Pseudomonas sp. (#306)
Gammaproteobacteria (#1236)
Fatty acids, fatty acid analogues and their derivatives,
Nat Prod Rep, 1998

String Representations

InChiKey (Click to copy)
IPRLELFMTNDNMN-CCEZHUSRSA-N
InChi (Click to copy)
InChI=1S/C18H34O4/c1-2-3-4-5-6-8-11-16(19)14-15-17(20)12-9-7-10-13-18(21)22/h14-17,19-20H,2-13H2,1H3,(H,21,22)/b15-14+
SMILES (Click to copy)
C(CCCCCC(O)/C=C/C(O)CCCCCCCC)(=O)O

Other Databases

PubChem CID
11758840

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
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
-
Updated at
-