Structure Database (LMSD)

Common Name
9Z,12Z,15-hexadecatrienoic acid
Systematic Name
9Z,12Z,15-hexadecatrienoic acid
Synonyms
  • (9Z,12Z)-hexadeca-9,12,15-trienoic acid
  • 16:3n-1
LM ID
LMFA01031157
Formula
C16H26O2
Exact Mass
Calculate m/z
250.19328
Sum Composition
FA 16:3
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 graph legend

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Mortierella alpina (#64518)
Mortierellomycetes (#2212732)
Polyunsaturated fatty acids production and transformation by Mortierella alpina and anaerobic bacteria,
Eur J Lipid Sci, 2012

String Representations

InChiKey (Click to copy)
OAXMYGCFSSOPQP-UTOQUPLUSA-N
InChi (Click to copy)
InChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2,4-5,7-8H,1,3,6,9-15H2,(H,17,18)/b5-4-,8-7-
SMILES (Click to copy)
C(=C/C/C=C\CC=C)/CCCCCCCC(O)=O

Other Databases

PubChem CID
87392132

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 292.38
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 4.88
Molar Refractivity 77.67

Admin

Created at
20th Jun 2019
Updated at
25th Apr 2022