Structure Database (LMSD)

Common Name
9-methyl-10Z-hexadecenoic acid
Systematic Name
9-methyl-10Z-hexadecenoic acid
Synonyms
LM ID
LMFA01020410
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]
Branched fatty acids [FA0102]
Unsaturated fatty acids [FA0103]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Vibrio alginolyticus (#663)
Gammaproteobacteria (#1236)
Fatty acids, fatty acid analogues and their derivatives,
Nat Prod Rep, 1998

String Representations

InChiKey (Click to copy)
ICUHPGFTAYIVMT-RAXLEYEMSA-N
InChi (Click to copy)
InChI=1S/C17H32O2/c1-3-4-5-7-10-13-16(2)14-11-8-6-9-12-15-17(18)19/h10,13,16H,3-9,11-12,14-15H2,1-2H3,(H,18,19)/b13-10-
SMILES (Click to copy)
C(CCCCCCCC(C)/C=C\CCCCC)(=O)O

Other Databases

PubChem CID
131839737

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 314.96
Topological Polar Surface Area 37.3
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.57
Molar Refractivity 82.4

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Updated at
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