LIPID MAPS

Structure Database (LMSD)

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Common Name

alpha-Solanine

Systematic Name

Solanid-5-en-3β-yl α-L-rhamnopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->3)]-β-D-galactopyranoside

Synonyms

LM ID

LMST01150019

Formula

C₄₅H₇₃NO₁₅

Exact Mass

Calculate m/z

867.498025

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

No other lipid differing only in stereochemistry/bond geometry found

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Solanum nigrum (#4112)

Magnoliopsida (#3398)

Die Konstitution des Solanins,
Angew Chemie, 1954

DOI: 10.1002/ange.19540662006

Solanum tuberosum (#4113)

Magnoliopsida (#3398)

Steroidal Glycoalkaloids: Isolation, Structure, Analysis, and Biosynthesis,
Nat Prod Comm, 2006

DOI: 10.1177/1934578X060010100

String Representations

InChiKey (Click to copy)

ZGVSETXHNHBTRK-UDJLNJFBSA-N

InChi (Click to copy)

InChI=1S/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3/t19-,20+,21-,23-,24+,25-,26-,27+,28-,29+,30+,31-,32-,33+,34-,35+,36-,37+,38+,39-,40+,41-,42-,43+,44-,45-/m0/s1

SMILES (Click to copy)

C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@H]5[C@@H]([C@@]6([H])CC[C@H](C)CN6[C@H]5C[C@@]4([H])[C@]3([H])CC=C2C[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)[C@@H](O)[C@@H](CO)O2)C1)C