Structure Database (LMSD)
Common Name
5-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde
Systematic Name
(2E,4Z,7S)-7-amino-5-formyl-2-hydroxyocta-2,4-dienedioic acid
Synonyms
- 5-(L-Alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde
3D model of 5-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
OAPFPZKGGMKELA-WEBQFGJISA-N
InChi (Click to copy)
InChI=1S/C9H11NO6/c10-6(8(13)14)3-5(4-11)1-2-7(12)9(15)16/h1-2,4,6,12H,3,10H2,(H,13,14)(H,15,16)/b5-1-,7-2+/t6-/m0/s1
SMILES (Click to copy)
C(/C=O)(=C/C=C(/O)\C(=O)O)\C[C@H](N)C(=O)O
References
Calculated Physicochemical Properties
Heavy Atoms
16
Rings
0
Aromatic Rings
0
Rotatable Bonds
6
Van der Waals Molecular Volume
214.80
Topological Polar Surface Area
137.92
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
6
logP
-0.27
Molar Refractivity
53.23
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Created at
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Updated at
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