Structure Database (LMSD)

Common Name
Margaroleic acid
Systematic Name
9Z-heptadecenoic acid
Synonyms
  • cis-9-heptadecenoic acid
  • C17:1n-8
  • 9-heptadecylenic acid
LM ID
LMFA01030060
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

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Bos taurus (#9913)
Mammalia (#40674)
Isolation of cis-delta-9 heptadecenoic acid from butterfat,
Biochem J, 1960

String Representations

InChiKey (Click to copy)
QSBYPNXLFMSGKH-HJWRWDBZSA-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(=O)O)/C=C\CCCCCCC

Other Databases

KEGG ID
C16536
HMDB ID
HMDB0062437
CHEBI ID
84328
LIPIDBANK ID
DFA0099
PubChem CID
5282748
PlantFA ID
10364
Cayman ID
36254

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

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Created at
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Updated at
25th Apr 2022