Structure Database (LMSD)

Common Name
D-tagaturonic acid
Systematic Name
D-arabino-hex-5-ulosonic acid
Synonyms
LM ID
LMFA05000654
Formula
C6H10O7
Exact Mass
Calculate m/z
194.042655
Sum Composition
FOH 6:2;O6
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

String Representations

InChiKey (Click to copy)
IZSRJDGCGRAUAR-WDCZJNDASA-N
InChi (Click to copy)
InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h3-5,7,9-11H,1H2,(H,12,13)/t3-,4-,5+/m1/s1
SMILES (Click to copy)
C(O)C(=O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)O

Other Databases

CHEBI ID
21099
PubChem CID
5460675

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 168.61
Topological Polar Surface Area 135.29
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 7
logP -2.14
Molar Refractivity 39.77

Admin

Created at
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Updated at
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