Structure database (LMSD)

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LM IDLMFA01050077
Common Name2-hydroxy behenic
Systematic Name2-hydroxy-docosanoic acid
Synonyms-
Exact Mass
356.3290 (neutral)    Calculate m/z:
FormulaC22H44O3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassHydroxy fatty acids [FA0105]
LIPIDBANK IDDFA0343
PubChem CID193484
HMDB IDHMDB0061660
PlantFA ID10266
SWISSLIPIDS IDSLM:000000828
CAYMAN ID24594
InChIKeyRPGJJWLCCOPDAZ-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C22H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(23)22(2
4)25/h21,23H,2-20H2,1H3,(H,24,25)
SMILESC(CCCCCCCCCCCC(O)C(=O)O)CCCCCCCC
MS Spectra-     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms25Rings0Aromatic Rings0Rotatable Bonds20
 van der Waals
Molecular Volume
412.89Topological Polar
Surface Area
57.53Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
3
 logP7.15Molar
Refractivity
107.55