Structure Database (LMSD)

Common Name
2-Hydroxylauroylcarnitine
Systematic Name
3-[(2-hydroxydodecanoyl)oxy]-4-(trimethylazaniumyl)butanoate
Synonyms
LM ID
LMFA07070032
Status
Active
Exact Mass
Calculate m/z
359.267174
Formula
C19H37NO5
Abbrev
CAR 12:0;O
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
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Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Fatty acyl carnitines [FA0707]
Fatty Acids and Conjugates [FA01]
Hydroxy fatty acids [FA0105]

String Representations

InChiKey (Click to copy)
PBBJEGGNZPXIGJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H37NO5/c1-5-6-7-8-9-10-11-12-13-17(21)19(24)25-16(14-18(22)23)15-20(2,3)4/h16-17,21H,5-15H2,1-4H3
SMILES (Click to copy)
C(CCC)CCCCCCC(O)C(OC(C[N+](C)(C)C)CC(=O)[O-])=O

References

Other Databases

HMDB ID
HMDB0013164
CHEBI ID
171785
PubChem CID
53481640

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 386.93
Topological Polar Surface Area 86.66
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
logP 2.49
Molar Refractivity 97.84

Reactions

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Created at
-
Updated at
25th Apr 2022