Structure database (LMSD)

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LM IDLMSP01080015
Common NameTermitomycesphin A
Systematic Name-
Synonyms-
Exact Mass
743.5548 (neutral)    Calculate m/z:
FormulaC41H77NO10
CategorySphingolipids [SP]
Main ClassSphingoid bases [SP01]
Sub ClassSphingoid base analogs [SP0108]
PubChem CID42608351
InChIKeyOJWZQESYKTYPLG-DSZHNLTPSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C41H77NO10/c1-4-6-8-10-12-13-14-15-16-18-20-22-28-35(46)40(50)42-32(30-
51-41-39(49)38(48)37(47)36(29-43)52-41)34(45)27-24-23-26-33(44)31(3)25-21-19-17-
11-9-7-5-2/h24,27,32-39,41,43-49H,3-23,25-26,28-30H2,1-2H3,(H,42,50)/b27-24+/t32
-,33?,34+,35+,36+,37+,38?,39?,41+/m0/s1
SMILESC([C@H](NC([C@H](O)CCCCCCCCCCCCCC)=O)[C@H](O)/C=C/CCC(O)C(=C)CCCCCCCCC)O[C@@H]1O
[C@H](CO)[C@@H](O)C(O)C1O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms52Rings1Aromatic Rings0Rotatable Bonds33
 van der Waals
Molecular Volume
796.48Topological Polar
Surface Area
191.24Hydrogen
Bond Donors
8Hydrogen
Bond Acceptors
10
 logP8.64Molar
Refractivity
211.08