Structure Database (LMSD)

Common Name
8-HOME(9)
Systematic Name
8-hydroxy-9-octadecenoic acid
Synonyms
  • 9-Octadecenoic acid, 8-hydroxy-
LM ID
LMFA02000203
Formula
Exact Mass
Calculate m/z
298.250795
Sum Composition
Status
Active

Classification

String Representations

InChiKey (Click to copy)
JEXIZLHRWZNJIX-SDNWHVSQSA-N
InChi (Click to copy)
InChI=1S/C18H34O3/c1-2-3-4-5-6-7-8-11-14-17(19)15-12-9-10-13-16-18(20)21/h11,14,17,19H,2-10,12-13,15-16H2,1H3,(H,20,21)/b14-11+
SMILES (Click to copy)
C(CCCCCCC(O)/C=C/CCCCCCCC)(=O)O

Other Databases

LIPIDAT ID
4844
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 341.05
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 5.37
Molar Refractivity 88.99

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Created at
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Updated at
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