Structure Database (LMSD)

Common Name
Hypusine
Systematic Name
(2S)-2-amino-6-{[(2S)-4-amino-2-hydroxybutyl]amino}hexanoic acid
Synonyms
LM ID
LMFA01050514
Formula
C10H23N3O3
Exact Mass
Calculate m/z
233.173942
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Hydroxy fatty acids [FA0105]
Amino fatty acids [FA0110]

String Representations

InChiKey (Click to copy)
BZUIJMCJNWUGKQ-IUCAKERBSA-N
InChi (Click to copy)
InChI=1S/C10H23N3O3/c11-5-4-8(14)7-13-6-2-1-3-9(12)10(15)16/h8-9,13-14H,1-7,11-12H2,(H,15,16)/t8-,9-/m0/s1
SMILES (Click to copy)
NCC[C@H](O)CNCCCC[C@H](N)C(O)=O

Other Databases

HMDB ID
HMDB0011140
PubChem CID
65396
PDB ID
5CT

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 238.29
Topological Polar Surface Area 121.60
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 3
logP 0.30
Molar Refractivity 64.50

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Created at
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Updated at
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