Structure Database (LMSD)

Common Name
Myriocin
Systematic Name
Synonyms
LM ID
LMSP01080020
Status
Active
Exact Mass
Calculate m/z
401.277739
Formula
C21H39NO6
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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

String Representations

InChiKey (Click to copy)
ZZIKIHCNFWXKDY-KTQGLFDKSA-N
InChi (Click to copy)
InChI=1S/C21H39NO6/c1-2-3-4-10-13-17(24)14-11-8-6-5-7-9-12-15-18(25)19(26)21(22,16-23)20(27)28/h9,12,18-19,23,25-26H,2-8,10-11,13-16,22H2,1H3,(H,27,28)/b12-9+/t18-,19-,21+/m1/s1
SMILES (Click to copy)
C([C@](C(O)=O)(N)[C@H](O)[C@H](O)C/C=C/CCCCCCC(=O)CCCCCC)O

References

Other Databases

Wikipedia
Myriocin
PubChem CID
42608356

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 0
Aromatic Rings 0
Rotatable Bonds 18
Van der Waals Molecular Volume 427.68
Topological Polar Surface Area 141.08
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 6
logP 3.45
Molar Refractivity 110.90

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Updated at
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