Structure Database (LMSD)

NH 2 O O OH NH 2 O HO OH OH OH
Common Name
Rhizochalinin D
Systematic Name
Synonyms
LM ID
LMSP01080039
Formula
C35H70N2O8
Exact Mass
Calculate m/z
646.513218
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
ZOLNKPLWFFLILG-XJHBATEFSA-N
InChi (Click to copy)
InChI=1S/C35H70N2O8/c1-26(36)29(40)23-19-15-12-11-14-18-22-28(39)21-17-13-9-7-5-3-4-6-8-10-16-20-24-30(27(2)37)44-35-34(43)33(42)32(41)31(25-38)45-35/h26-27,29-35,38,40-43H,3-25,36-37H2,1-2H3/t26-,27-,29-,30-,31-,32-,33+,34-,35-/m1/s1
SMILES (Click to copy)
C[C@@H](N)[C@H](O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)CCCCCCCCCCCCCCC(=O)CCCCCCCC[C@@H](O)[C@H](N)C

References

Other Databases

PubChem CID
42608368

Calculated Physicochemical Properties

Heavy Atoms 45
Rings 1
Aromatic Rings 0
Rotatable Bonds 29
Van der Waals Molecular Volume 691.38
Topological Polar Surface Area 190.79
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 10
logP 7.24
Molar Refractivity 183.62

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Created at
-
Updated at
11th Sep 2021