LIPID MAPS

Structure Database (LMSD)

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Common Name

alpha-N-(3-hydroxy-14-methyl-pentadecanoyl)-ornithine

Systematic Name

5-amino-2-(3-hydroxy-14-methyl-pentadecanamido)pentanoic acid

Synonyms

LM ID

LMFA08020357

Formula

C₂₁H₄₂N₂O₄

Exact Mass

Calculate m/z

386.314458

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

KNRXJYLKEKMAHW-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C21H42N2O4/c1-17(2)12-9-7-5-3-4-6-8-10-13-18(24)16-20(25)23-19(21(26)27)14-11-15-22/h17-19,24H,3-16,22H2,1-2H3,(H,23,25)(H,26,27)

SMILES (Click to copy)

OC(C(NC(CC(O)CCCCCCCCCCC(C)C)=O)CCCN)=O

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Lacinutrix sp. (#1937692)

Flavobacteriia (#117743)

Two Novel Lyso-Ornithine Lipids Isolated from an Arctic Marine Lacinutrix sp. Bacterium.,
Molecules, 2021

Pubmed ID: 34500726

DOI: 10.3390/molecules26175295

Other Databases

PubChem CID

170315540

Calculated Physicochemical Properties

Heavy Atoms 27

Rings

Aromatic Rings

Rotatable Bonds 18

Van der Waals Molecular Volume 423.74

Topological Polar Surface Area 112.65

Hydrogen Bond Donors 4

Hydrogen Bond Acceptors 6

logP 4.46

Molar Refractivity 111.00

Admin

Created at

22nd Sep 2021

Updated at