Structure Database (LMSD)

Common Name
17:1(12Z)
Systematic Name
12Z-heptadecenoic acid
Synonyms
  • C17:1n-5
LM ID
LMFA01030907
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
Siphonaria denticulata (#190183)
Gastropoda (#6448)
Identification and total synthesis of novel fatty acids from the Siphonarid limpet Siphonaria denticulata.,
J Nat Prod, 2001
Pubmed ID: 11720525

String Representations

InChiKey (Click to copy)
VDBZSBZPSBQBTG-WAYWQWQTSA-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/h5-6H,2-4,7-16H2,1H3,(H,18,19)/b6-5-
SMILES (Click to copy)
C(CCCCCCCCCC/C=C\CCCC)(=O)O

Other Databases

CHEBI ID
196112
PubChem CID
52921859

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
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Updated at
25th Apr 2022