Structure database (LMSD)

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LM IDLMFA01050489
Common Name3,7-dideoxy-D-threo-hepto-2,6-diuolosonic acid
Systematic Name(4R,5S)-4,5-dihydroxy-2,6-dioxoheptanoic acid;3,7-dideoxy-D-threo-hepto-2,6-
diuolosonic acid
Synonyms-
Exact Mass
190.0477 (neutral)    Calculate m/z:
FormulaC7H10O6
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassHydroxy fatty acids [FA0105]
Alternative ClassesOxo fatty acids[FA0106]
AbbrevFA 7:2;O4
PubChem CID44176391
CHEBI ID51822
InChIKeyJBJFMONKIKZMPK-INEUFUBQSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C7H10O6/c1-3(8)6(11)4(9)2-5(10)7(12)13/h4,6,9,11H,2H2,1H3,(H,12,13)/t4-,6-/m1/s1
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SMILES
C(C(=O)C(O)=O)[C@@H](O)[C@H](O)C(=O)C
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms13Rings0Aromatic Rings0Rotatable Bonds5
 van der Waals
Molecular Volume
174.48Topological Polar
Surface Area
111.90Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
6
 logP-1.09Molar
Refractivity
40.98