Structure Database (LMSD)

Common Name
9E-heptadecenoic acid
Systematic Name
9E-heptadecenoic acid
Synonyms
  • C17:1n-8
LM ID
LMFA01030289
Formula
C17H32O2
Exact Mass
Calculate m/z
268.24023
Sum Composition
FA 17:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

Reactions

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ⓘ Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
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Reactions graph legend

String Representations

InChiKey (Click to copy)
QSBYPNXLFMSGKH-CMDGGOBGSA-N
InChi (Click to copy)
InChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h8-9H,2-7,10-16H2,1H3,(H,18,19)/b9-8+
SMILES (Click to copy)
C(CCCCCCC/C=C/CCCCCCC)(=O)O

Other Databases

LIPIDAT ID
4188
KEGG ID
C16536
HMDB ID
HMDB0031046
CHEBI ID
80550
PubChem CID
5312440

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 314.96
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.72
Molar Refractivity 82.47

Admin

Created at
-
Updated at
25th Apr 2022