Structure Database (LMSD)
Common Name
Crucigasterin 277
Systematic Name
1-deoxy-sphinga-5E,9Z,12Z,15Z-tetraenine
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Crucigasterin 277
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
PEVJDMWZXLRJSP-LFPPQAFFSA-N
InChi (Click to copy)
InChI=1S/C18H31NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17(2)19/h4-5,7-8,10-11,14-15,17-18,20H,3,6,9,12-13,16,19H2,1-2H3/b5-4-,8-7-,11-10-,15-14+/t17-,18+/m0/s1
SMILES (Click to copy)
C[C@H](N)[C@H](O)C/C=C/CC/C=C\C/C=C\C/C=C\CC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
20
Rings
0
Aromatic Rings
0
Rotatable Bonds
11
Van der Waals Molecular Volume
329.19
Topological Polar Surface Area
46.25
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
1
logP
4.85
Molar Refractivity
90.62
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Created at
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Updated at
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