LIPID MAPS

Structure Database (LMSD)

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Common Name

Prosopinine

Systematic Name

6R-(8-hydroxydecyl)-2R-(hydroxymethyl)-piperidin-3R-ol

Synonyms

LM ID

LMSP01080049

Formula

C₁₆H₃₃NO₃

Exact Mass

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287.246044

Status

Active

Show lipids differing only in stereochemistry/bond geometry

No other lipid differing only in stereochemistry/bond geometry found

Main

Classification

String Representations

InChiKey (Click to copy)

SEUBYHFHBZVRCC-QGAIPKOMSA-N

InChi (Click to copy)

InChI=1S/C16H33NO3/c1-2-14(19)9-7-5-3-4-6-8-13-10-11-16(20)15(12-18)17-13/h13-20H,2-12H2,1H3/t13-,14?,15-,16-/m1/s1

SMILES (Click to copy)

[C@@H]1(CCCCCCCC(O)CC)CC[C@@H](O)[C@@H](CO)N1

References

Other Databases

CHEBI ID

73903

PubChem CID

42608371

Calculated Physicochemical Properties

Heavy Atoms 20

Rings 1

Aromatic Rings 0

Rotatable Bonds 10

Van der Waals Molecular Volume 310.37

Topological Polar Surface Area 72.72

Hydrogen Bond Donors 4

Hydrogen Bond Acceptors 3

logP 3.39

Molar Refractivity 84.19

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