Structure database (LMSD)

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LM IDLMFA01020268
Common Name14S-methyl-8Z-hexadecenoic acid
Systematic Name14S-methyl-8Z-hexadecenoic acid
Synonyms8-Hexadecenoic acid, 14-methyl-, [S-(Z)]-
Exact Mass
268.2402 (neutral)    Calculate m/z:
FormulaC17H32O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassBranched fatty acids [FA0102]
Alternative ClassesUnsaturated fatty acids[FA0103]
AbbrevFA 17:1
LIPIDAT ID5217
PubChem CID5312345
InChIKeyDIOQBMNVXMZLDE-LEXSJLIMSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C17H32O2/c1-3-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(18)19/h4,6,16H,3,5,7-15H2,1-2H3,(H,18,19)/b6-4-/t16-/m0/s1
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SMILES
C(CCCCCC/C=C\CCCC[C@@H](C)CC)(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms19Rings0Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
314.96Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP5.57Molar
Refractivity
82.40