Structure Database (LMSD)

Common Name
Pramanicin
Systematic Name
Synonyms
LM ID
LMSP01080048
Formula
C19H31NO6
Exact Mass
Calculate m/z
369.215139
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

String Representations

InChiKey (Click to copy)
BOWRHOKHYKPEAR-YRMVZDNFSA-N
InChi (Click to copy)
InChI=1S/C19H31NO6/c1-2-3-4-5-6-7-8-9-14-15(26-14)10-11-16(22)19(25)17(23)13(12-21)20-18(19)24/h10-11,13-15,17,21,23,25H,2-9,12H2,1H3,(H,20,24)/b11-10+/t13-,14+,15+,17-,19+/m0/s1
SMILES (Click to copy)
[C@@]1(O)(C(=O)/C=C/[C@H]2O[C@@H]2CCCCCCCCC)[C@@H](O)[C@H](CO)NC1=O

Other Databases

CHEBI ID
179179
PubChem CID
10595278

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 2
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 368.36
Topological Polar Surface Area 119.39
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 2.32
Molar Refractivity 98.44

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Updated at
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