Structure Database (LMSD)
Common Name
16:1(6Z)(15Me)
Systematic Name
15-methyl-6Z-hexadecenoic acid
Synonyms
3D model of 16:1(6Z)(15Me)
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
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
J Nat Prod, 2001
Pubmed ID:
11720525
DOI:
10.1021/np010307r
String Representations
InChiKey (Click to copy)
DWCHACQTXPELKE-ALCCZGGFSA-N
InChi (Click to copy)
InChI=1S/C17H32O2/c1-16(2)14-12-10-8-6-4-3-5-7-9-11-13-15-17(18)19/h5,7,16H,3-4,6,8-15H2,1-2H3,(H,18,19)/b7-5-
SMILES (Click to copy)
C(CCCC/C=C\CCCCCCCC(C)C)(=O)O
Other Databases
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
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
5.57
Molar Refractivity
82.40
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Updated at
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