Structure Database (LMSD)

Common Name
(2xi,6xi)-7-Methyl-3-methylene-1,2,6,7-octanetetrol
Systematic Name
7-methyl-3-methylideneoctane-1,2,6,7-tetrol
Synonyms
LM ID
LMFA05000554
Formula
C10H20O4
Exact Mass
Calculate m/z
204.13616
Sum Composition
FOH 10:1;O3
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty alcohols [FA05]

String Representations

InChiKey (Click to copy)
GGDOZDCNLKHEMH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H20O4/c1-7(8(12)6-11)4-5-9(13)10(2,3)14/h8-9,11-14H,1,4-6H2,2-3H3
SMILES (Click to copy)
CC(O)(C)C(O)CCC(=C)C(O)CO

References

Other Databases

HMDB ID
HMDB0033217
CHEBI ID
172446
PubChem CID
15382184

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 0
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 214.08
Topological Polar Surface Area 80.92
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 4
logP 0.95
Molar Refractivity 55.80

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Created at
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Updated at
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