Structure Database (LMSD)

O OH
Common Name
(+)-C27-Phthienoic acid
Systematic Name
2,4,6-trimethyl-2Z-tetracosenoic acid
Synonyms
  • Mycolipenic acid
LM ID
LMFA01020032
Formula
C27H52O2
Exact Mass
Calculate m/z
408.39673
Sum Composition
FA 27:1
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]
Branched fatty acids [FA0102]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
SJZUAPDAKBPNQS-WNAAXNPUSA-N
InChi (Click to copy)
InChI=1S/C27H52O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(2)22-25(3)23-26(4)27(28)29/h23-25H,5-22H2,1-4H3,(H,28,29)/b26-23+
SMILES (Click to copy)
C(CCCCCCCC(C)CC(C)/C=C(\C)/C(=O)O)CCCCCCCCCC

References

Other Databases

CHEBI ID
62577
LIPIDBANK ID
DFA0257
PubChem CID
5282613

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 0
Aromatic Rings 0
Rotatable Bonds 21
Van der Waals Molecular Volume 487.96
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 9.33
Molar Refractivity 128.50

Admin

Created at
-
Updated at
-