Structure database (LMSD)

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LM IDLMFA01020343
Common Name25:0(23Me)
Systematic Name23-methyl-pentacosanoic acid
Synonyms-
Exact Mass
396.3967 (neutral)    Calculate m/z:
FormulaC26H52O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassBranched fatty acids [FA0102]
PubChem CID15047966
InChIKeyKETXIYUCVSWJBJ-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C26H52O2/c1-3-25(2)23-21-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-22-24-26(27)28/h25H,3-24H2,1-2H3,(H,27,28)
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SMILES
C(CCCCCCCCCCCCCCCCCCCCCC(C)CC)(=O)O
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StatusActive
ReferencesLipid compounds of freshwater sponges:
family Spongillidae, class Demospongiae
Valery M. Dembitsky, Tomas Rezankab and Morris Srebnika
Chemistry and Physics of Lipids
Volume 123, Issue 2, April 2003, Pages 117-155
Calculated physicochemical properties (?):
 Heavy Atoms28Rings0Aromatic Rings0Rotatable Bonds23
 van der Waals
Molecular Volume
473.30Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP9.31Molar
Refractivity
124.05