Structure Database (LMSD)

OH O
Common Name
7R,8S-methylenehexanoic acid
Systematic Name
7R,8S-methylenehexanoic acid
Synonyms
  • 6-[(1R,2S)-2-octylcyclopropyl]hexanoic acid
  • Cyclopropanehexanoic acid, 2-octyl-, (1R,2S)-rel-
  • 7,8-Methylenehexadecanoic acid
LM ID
LMFA01140037
Formula
C17H32O2
Exact Mass
Calculate m/z
268.24023
Sum Composition
FA 17:1
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]
Carbocyclic fatty acids [FA0114]
Branched fatty acids [FA0102]

String Representations

InChiKey (Click to copy)
FMVHABNRCKPNEA-JKSUJKDBSA-N
InChi (Click to copy)
InChI=1S/C17H32O2/c1-2-3-4-5-6-8-11-15-14-16(15)12-9-7-10-13-17(18)19/h15-16H,2-14H2,1H3,(H,18,19)/t15-,16+/m0/s1
SMILES (Click to copy)
C(O)(=O)CCCCC[C@@H]1C[C@@H]1CCCCCCCC

References

Other Databases

PubChem CID
101946923
PlantFA ID
10315

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 1
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 305.24
Topological Polar Surface Area 37.3
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.41
Molar Refractivity 80.31

Admin

Created at
-
Updated at
-