Structure database (LMSD)

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LM IDLMFA01010037
Common Name-
Systematic Nameheptatriacontanoic acid
SynonymsC37:0
Exact Mass
550.5689 (neutral)    Calculate m/z:
FormulaC37H74O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassStraight chain fatty acids [FA0101]
LIPIDBANK IDDFA0037
PubChem Compound ID (CID)5282597
InChIKeyDEQQJCLFURALOA-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C37H74O2/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)39/h2-36H2,1H3,(H,38,39)
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms39Rings0Aromatic Rings0Rotatable Bonds35
 van der Waals
Molecular Volume
663.60Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP13.74Molar
Refractivity
174.90    
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