Structure Database (LMSD)

Common Name
9R-hydroxy-10E,12E-octadecadienoic acid, methyl ester
Systematic Name
Methyl 9R-hydroxy-10E,12E-octadecadienoate
Synonyms
  • 10,12-Octadecadienoic acid, 9-hydroxy-, methyl ester, (9R,10E,12E)-
  • 10,12-Octadecadienoic acid, 9-hydroxy-, methyl ester, (E,E)-D-(+)-
  • 10,12-Octadecadienoic acid, 9-hydroxy-, methyl ester, [R-(E,E)]-
LM ID
LMFA01050549
Formula
C19H34O3
Exact Mass
Calculate m/z
310.250795
Sum Composition
FA 19:2;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
WRXGTVUDZZBNPN-UGZMQUNVSA-N
InChi (Click to copy)
InChI=1S/C19H34O3/c1-3-4-5-6-7-9-12-15-18(20)16-13-10-8-11-14-17-19(21)22-2/h7,9,12,15,18,20H,3-6,8,10-11,13-14,16-17H2,1-2H3/b9-7+,15-12+/t18-/m0/s1
SMILES (Click to copy)
C(CCCCCCC[C@@H](O)/C=C/C=C/CCCCC)(=O)OC

References

Other Databases

CHEBI ID
183573
PubChem CID
90474977
PlantFA ID
10283

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 355.71
Topological Polar Surface Area 46.53
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 5.23
Molar Refractivity 93.28

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Created at
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Updated at
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