Structure Database (LMSD)

Common Name
3,12-dihydroxy palmitic acid
Systematic Name
3,12-dihydroxy-hexadecanoic acid
Synonyms
LM ID
LMFA01050083
Formula
C16H32O4
Exact Mass
Calculate m/z
288.23006
Sum Composition
FA 16:0;O2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Hydroxy fatty acids [FA0105]

String Representations

InChiKey (Click to copy)
FEIUPFRYFFTGFY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H32O4/c1-2-3-10-14(17)11-8-6-4-5-7-9-12-15(18)13-16(19)20/h14-15,17-18H,2-13H2,1H3,(H,19,20)
SMILES (Click to copy)
C(CC)CC(O)CCCCCCCCC(O)CC(=O)O

Other Databases

CHEBI ID
179895
LIPIDBANK ID
DFA0349
PubChem CID
125639
PlantFA ID
10292

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 317.88
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 4.07
Molar Refractivity 81.75

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Created at
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Updated at
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