Structure Database (LMSD)

Common Name
Hemsleyin imine A
Systematic Name
Synonyms
LM ID
LMSP01080019
Formula
C39H75NO3
Exact Mass
Calculate m/z
605.574694
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Sphingolipids [SP]
Sphingoid bases [SP01]
Sphingoid base analogs [SP0108]

String Representations

InChiKey (Click to copy)
SVXFXYCXVLPKDZ-OFZCPIKPSA-N
InChi (Click to copy)
InChI=1S/C39H75NO3/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-38(42)37(36-41)40-39(43)35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h32,34,38,41-42H,3-31,33,35-36H2,1-2H3/b34-32+,40-37-
SMILES (Click to copy)
C(C)CCCCCCCCCCCCCC/C=C/C(O)/C(=N\C(=O)CCCCCCCCCCCCCCCCC)/CO

Other Databases

PubChem CID
42608355

Calculated Physicochemical Properties

Heavy Atoms 43
Rings 0
Aromatic Rings 0
Rotatable Bonds 34
Van der Waals Molecular Volume 712.71
Topological Polar Surface Area 69.89
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 12.57
Molar Refractivity 190.15

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Created at
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Updated at
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