Structure Database (LMSD)

Common Name
2,3-diamino-propionic acid
Systematic Name
2S,3-diamino-propionic acid
Synonyms
LM ID
LMFA01100051
Formula
C3H8N2O2
Exact Mass
Calculate m/z
104.058578
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Amino fatty acids [FA0110]

String Representations

InChiKey (Click to copy)
PECYZEOJVXMISF-REOHCLBHSA-N
InChi (Click to copy)
InChI=1S/C3H8N2O2/c4-1-2(5)3(6)7/h2H,1,4-5H2,(H,6,7)/t2-/m0/s1
SMILES (Click to copy)
C(=O)(O)[C@@H](N)CN

Other Databases

KEGG ID
C03401
HMDB ID
HMDB0002006
CHEBI ID
57721
PubChem CID
97328
PDB ID
DPP

Calculated Physicochemical Properties

Heavy Atoms 7
Rings 0
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 97.40
Topological Polar Surface Area 89.34
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 2
logP -1.07
Molar Refractivity 25.67

Admin

Created at
-
Updated at
-