Structure database (LMSD)

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LM IDLMFA01050449
Common Name(4S,5S)-4,5-dihydroxy-2,6-dioxohexanoic acid
Systematic Name(4S,5S)-4,5-dihydroxy-2,6-dioxohexanoic acid
Synonyms4-deoxy-L-erythro-hex-5-ulosuronic acid
Exact Mass
176.0321 (neutral)    Calculate m/z:
FormulaC6H8O6
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassHydroxy fatty acids [FA0105]
Alternative ClassesOxo fatty acids[FA0106]
AbbrevFA 6:2;O4
PubChem CID440352
KEGG IDC04471
CHEBI ID15624
InChIKeyIMUGYKFHMJLTOU-WVZVXSGGSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C6H8O6/c7-2-5(10)3(8)1-4(9)6(11)12/h2-3,5,8,10H,1H2,(H,11,12)/t3-,5+/m0/s1
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SMILES
C(=O)(O)C(=O)C[C@H](O)[C@H](O)C([H])=O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms12Rings0Aromatic Rings0Rotatable Bonds5
 van der Waals
Molecular Volume
157.18Topological Polar
Surface Area
111.90Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
6
 logP-1.48Molar
Refractivity
36.36