Structure database (LMSD)

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LM IDLMFA01050368
Common Name2-hydroxy-3-methylhexadecanoic acid
Systematic Name2-hydroxy-3-methylhexadecanoic acid
Synonyms2-hydroxy-3-methylpalmitic acid
Exact Mass
286.2508 (neutral)    Calculate m/z:
FormulaC17H34O3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassHydroxy fatty acids [FA0105]
Alternative ClassesBranched fatty acids[FA0102]
AbbrevFA 17:0;O
PubChem CID24798717
CHEBI ID49175
InChIKeyHNRNFABXNZGOFG-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C17H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16(18)17(19)20/h15-16,18H,3-14H2,1-2H3,(H,19,20)
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SMILES
O=C(O)C(O)C(C)CCCCCCCCCCCCC
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings0Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
326.39Topological Polar
Surface Area
57.53Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
3
 logP5.06Molar
Refractivity
84.40