Structure database (LMSD)

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LM IDLMFA01020419
Common Name10,16-dimethyl-heptadecanoic acid
Systematic Name10,16-dimethylheptadecanoic acid
Synonyms17:0 (10,16-diMe)
Exact Mass
298.2872 (neutral)    Calculate m/z:
FormulaC19H38O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassBranched fatty acids [FA0102]
AbbrevFA 19:0
PubChem CID129853995
InChIKeyRJHMLGHUQWBDBR-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C19H38O2/c1-17(2)13-9-8-11-15-18(3)14-10-6-4-5-7-12-16-19(20)21/h17-18H,4-16H2,1-3H3,(H,20,21)
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SMILES
C(CCCCCCCCC(C)CCCCCC(C)C)(=O)O
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StatusActive
ReferencesA Novel Fatty Acid, 12,17-Dimethyloctadecanoic Acid, from the Extremophile Thermogemmatispora sp. (Strain T81). M. Vyssotski, J. Ryan, K. Lagutin, H. Wong, X. Morgan and M. Stott. Lipids. Volume 47, Issue 6, June 2012, pp.601–611
https://link.springer.com/article/10.1007/s11745-012-3668-z
Calculated physicochemical properties (?):
 Heavy Atoms21Rings0Aromatic Rings0Rotatable Bonds15
 van der Waals
Molecular Volume
352.20Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP6.43Molar
Refractivity
91.66