Structure Database (LMSD)

Common Name
11-Hydroxyceromelissic acid
Systematic Name
11-hydroxy-tritriacontanoic acid
Synonyms
  • 11-OH-33:0
LM ID
LMFA01050533
Formula
C33H66O3
Exact Mass
Calculate m/z
510.501195
Sum Composition
FA 33:0;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Hydroxy fatty acids [FA0105]

String Representations

InChiKey (Click to copy)
XJUVNDYZYNYSSN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C33H66O3/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/h32,34H,2-31H2,1H3,(H,35,36)
SMILES (Click to copy)
C(CCCCCCCCCC(O)CCCCCCCCCCCCCCCCCCCCCC)(=O)O

References

Other Databases

PubChem CID
131839776

Calculated Physicochemical Properties

Heavy Atoms 36
Rings 0
Aromatic Rings 0
Rotatable Bonds 31
Van der Waals Molecular Volume 603.19
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 11.44
Molar Refractivity 158.34

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Created at
-
Updated at
20th Oct 2021