Structure Database (LMSD)

Common Name
Hydroxypropionylcarnitine
Systematic Name
(3S)-3-[(3-hydroxypropanoyl)oxy]-4-(trimethylazaniumyl)butanoate
Synonyms
LM ID
LMFA07070074
Formula
Exact Mass
Calculate m/z
233.126324
Sum Composition
Status
Active

Classification

Reactions

Filter by species:
Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
Click on an edge to display the reaction(s).
Reactions graph legend

String Representations

InChiKey (Click to copy)
QJGJXKFJFRSERW-QMMMGPOBSA-N
InChi (Click to copy)
InChI=1S/C10H19NO5/c1-11(2,3)7-8(6-9(13)14)16-10(15)4-5-12/h8,12H,4-7H2,1-3H3/t8-/m0/s1
SMILES (Click to copy)
[C@H](C[N+](C)(C)C)(OC(=O)CCO)CC(=O)[O-]

Other Databases

HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 231.23
Topological Polar Surface Area 86.66
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
logP -1.02
Molar Refractivity 56.28

Admin

Created at
-
Updated at
25th Apr 2022