Structure database (LMSD)

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LM IDLMFA01010036
Common NameHexatriacontylic acid (W)
Systematic Namehexatriacontanoic acid
SynonymsC36:0
Exact Mass
536.5532 (neutral)    Calculate m/z:
FormulaC36H72O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassStraight chain fatty acids [FA0101]
LIPIDBANK IDDFA0036
PubChem Compound ID (CID)5282596
METABOLOMICS ID-
KEGG ID-
HMDB ID-
YMDB ID-
CHEBI ID-
InChIKeyLRKATBAZQAWAGV-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C36H72O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-2
4-25-26-27-28-29-30-31-32-33-34-35-36(37)38/h2-35H2,1H3,(H,37,38)
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms38Rings0Aromatic Rings0Rotatable Bonds34
 van der Waals
Molecular Volume
646.30Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP13.35Molar
Refractivity
170.29    
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