Structure Database (LMSD)

Common Name
N-(3-carboxypropanoyl)-N-hydroxyputrescine
Systematic Name
4-[(4-aminobutyl)(hydroxy)amino]-4-oxobutanoic acid
Synonyms
  • HSP
  • N-hydroxy-N-succinylputrescine
LM ID
LMFA08020188
Formula
C8H16N2O4
Exact Mass
Calculate m/z
204.111008
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty amides [FA08]
N-acyl amines [FA0802]
Fatty Acids and Conjugates [FA01]
Amino fatty acids [FA0110]

String Representations

InChiKey (Click to copy)
HJMSTRBGVUJGAI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C8H16N2O4/c9-5-1-2-6-10(14)7(11)3-4-8(12)13/h14H,1-6,9H2,(H,12,13)
SMILES (Click to copy)
OC(CCC(N(CCCCN)O)=O)=O

Other Databases

CHEBI ID
50430
PubChem CID
16654923

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 0
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 198.84
Topological Polar Surface Area 103.86
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 0.55
Molar Refractivity 49.50

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Created at
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Updated at
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