Structure database (LMSD)

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LM IDLMST01150006
Common NameVerazine
Systematic Name(20S,25S)-22,26-iminocholesta-5,22(N)-dien-3β-ol
Synonyms-
Exact Mass
397.3345 (neutral)    Calculate m/z:
FormulaC27H43NO
CategorySterol Lipids [ST]
Main ClassSterols [ST01]
Sub ClassSolanidines and alkaloid derivatives [ST0115]
PubChem CID70699389
InChIKeyVRBNGKPRTHBEIQ-MAFAIHIWSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C27H43NO/c1-17-5-10-25(28-16-17)18(2)22-8-9-23-21-7-6-19-15-20(29)11-13
-26(19,3)24(21)12-14-27(22,23)4/h6,17-18,20-24,29H,5,7-16H2,1-4H3/t17-,18?,20-,2
1-,22+,23-,24-,26-,27+/m0/s1
SMILESC1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@H](C(C5CC[C@H](C)CN=5)C)CC[C@@]4([H])[C@]3([H
])CC=C2C[C@@H](O)C1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms29Rings5Aromatic Rings0Rotatable Bonds2
 van der Waals
Molecular Volume
428.37Topological Polar
Surface Area
32.59Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP7.00Molar
Refractivity
122.07