Structure Database (LMSD)
Common Name
Isoheptadecanoic acid
Systematic Name
15-methyl-hexadecanoic acid
Synonyms
- 15-methyl palmitic acid
- Isomargaric acid
- Subtiloheptadecanoic acid
- Methylpalmitic acid
3D model of Isoheptadecanoic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
IIUXHTGBZYEGHI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H34O2/c1-16(2)14-12-10-8-6-4-3-5-7-9-11-13-15-17(18)19/h16H,3-15H2,1-2H3,(H,18,19)
SMILES (Click to copy)
C(CCCCC(C)C)CCCCCCCCC(=O)O
References
Other Databases
HMDB ID
CHEBI ID
LIPIDBANK ID
DFA0237
PubChem CID
PlantFA ID
SwissLipids ID
Cayman ID
Calculated Physicochemical Properties
Heavy Atoms
19
Rings
0
Aromatic Rings
0
Rotatable Bonds
14
Van der Waals Molecular Volume
317.60
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
5.80
Molar Refractivity
82.49
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Created at
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Updated at
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