Structure Database (LMSD)

Common Name
phenyl [1-(N-succinylamino)pentyl]phosphonate
Systematic Name
4-({(1R)-1-[(R)-hydroxy(phenoxy)phosphoryl]pentyl}amino)-4-oxobutanoic acid
Synonyms
  • 4-({(1R)-1-[(R)-hydroxy(phenoxy)phosphoryl]pentyl}amino)-4-oxobutanoic acid
  • PHENYL[1-(N-SUCCINYLAMINO)PENTYL]PHOSPHONATE
  • phenyl[1-(n-succinylamino)pentyl]phosphonate
LM ID
LMFA08020199
Formula
C15H22NO6P
Exact Mass
Calculate m/z
343.118477
Status
Curated
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]
Unsaturated fatty acids [FA0103]
Carbocyclic fatty acids [FA0114]

String Representations

InChiKey (Click to copy)
FJQWWGCHPFSERW-CQSZACIVSA-N
InChi (Click to copy)
InChI=1S/C15H22NO6P/c1-2-3-9-14(16-13(17)10-11-15(18)19)23(20,21)22-12-7-5-4-6-8-12/h4-8,14H,2-3,9-11H2,1H3,(H,16,17)(H,18,19)(H,20,21)/t14-/m1/s1
SMILES (Click to copy)
CCCC[C@@H]([P@@](OC1=CC=CC=C1)(=O)O)NC(CCC(=O)O)=O

Other Databases

CHEBI ID
43012
PubChem CID
444107
PDB ID
HEP

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 1
Aromatic Rings 1
Rotatable Bonds 10
Van der Waals Molecular Volume 315.17
Topological Polar Surface Area 112.93
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 3.20
Molar Refractivity 85.60

Admin

Created at
-
Updated at
-