Structure Database (LMSD)

Common Name
11-Oxoceromelissic acid
Systematic Name
11-Oxotritriacontanoic acid
Synonyms
  • Oxopsyllic acid
  • Oxoceromelissic acid
  • 11-Oxopsyllic acid
LM ID
LMFA01060205
Formula
C33H64O3
Exact Mass
Calculate m/z
508.485545
Sum Composition
FA 33:1;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Oxo fatty acids [FA0106]

String Representations

InChiKey (Click to copy)
BFXCMQPAQTUXOM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C33H64O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-26-29-32(34)30-27-24-21-19-22-25-28-31-33(35)36/h2-31H2,1H3,(H,35,36)
SMILES (Click to copy)
C(CCCCCCCCCC(=O)CCCCCCCCCCCCCCCCCCCCCC)(=O)O

Other Databases

PubChem CID
131839783
PlantFA ID
10393

Calculated Physicochemical Properties

Heavy Atoms 36
Rings 0
Aromatic Rings 0
Rotatable Bonds 31
Van der Waals Molecular Volume 600.55
Topological Polar Surface Area 54.37
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 11.36
Molar Refractivity 156.83

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Created at
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Updated at
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