Structure Database (LMSD)

Common Name
16:1(8Z)(15Me)
Systematic Name
15-methyl-8Z-hexadecenoic acid
Synonyms
LM ID
LMFA01020383
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
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)
JWCXEZKWYNAYNJ-ARJAWSKDSA-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/h3-4,16H,5-15H2,1-2H3,(H,18,19)/b4-3-
SMILES (Click to copy)
C(CCCCCC/C=C\CCCCCC(C)C)(=O)O

Other Databases

CHEBI ID
196122
PubChem CID
52921796

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

Admin

Created at
-
Updated at
-