Structure Database (LMSD)

Common Name
Caproleic acid
Systematic Name
9-decenoic acid
Synonyms
  • 9-decylenic acid
  • C10:1n-1
LM ID
LMFA01030033
Status
Active
Exact Mass
Calculate m/z
170.13068
Formula
C10H18O2
Abbrev
FA 10:1
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
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Main

Classification

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

String Representations

InChiKey (Click to copy)
KHAVLLBUVKBTBG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2H,1,3-9H2,(H,11,12)
SMILES (Click to copy)
C(CCCCCCC(=O)O)C=C

References

Other Databases

HMDB ID
HMDB0031003
CHEBI ID
32381
LIPIDBANK ID
DFA0072
PubChem CID
61743
PlantFA ID
10021

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 193.86
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 2.99
Molar Refractivity 50.15

Reactions

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Reactions graph legend

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Created at
-
Updated at
25th Apr 2022