Structure database (LMSD)

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LM IDLMSP01080020
Common NameMyriocin (W)
Systematic Name-
Synonyms-
Exact Mass
401.2777 (neutral)    Calculate m/z:
FormulaC21H39NO6
CategorySphingolipids [SP]
Main ClassSphingoid bases [SP01]
Sub ClassSphingoid base analogs [SP0108]
PubChem CID42608356
InChIKeyZZIKIHCNFWXKDY-KTQGLFDKSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
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
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SMILES
C([C@](C(O)=O)(N)[C@H](O)[C@H](O)C/C=C/CCCCCCC(=O)CCCCCC)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms28Rings0Aromatic Rings0Rotatable Bonds18
 van der Waals
Molecular Volume
427.68Topological Polar
Surface Area
141.08Hydrogen
Bond Donors
5Hydrogen
Bond Acceptors
6
 logP3.45Molar
Refractivity
110.90