LIPID MAPS

Common Name

(23S)-23,25-dihydroxy-24-oxovitamin D3 23-(beta-glucuronide)

Systematic Name

(5Z,7E)-(3S,23S)-24-oxo-9,10-seco-5,7,10(19)-cholestatriene-3,23,25-triol 23-D-glucuronide

Synonyms

(23S)-23,25-dihydroxy-24-oxocholecalciferol 23-(beta-glucuronide)

LM ID

LMST05010020

Status

Active

Exact Mass

Calculate m/z

606.3404

Formula

C₃₃H₅₀O₁₀

Abbrev

ST 27:3;O4;GlcA

Show lipids differing only in stereochemistry/bond geometry

Download as...

MDLMOL SDF CSV TSV

MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Classification

String Representations

InChiKey (Click to copy)

USYNZBLVOOXNSN-SFVRNRCFSA-N

InChi (Click to copy)

InChI=1S/C33H50O10/c1-17-8-11-21(34)16-20(17)10-9-19-7-6-14-33(5)22(12-13-23(19)33)18(2)15-24(29(38)32(3,4)41)42-31-27(37)25(35)26(36)28(43-31)30(39)40/h9-10,18,21-28,31,34-37,41H,1,6-8,11-16H2,2-5H3,(H,39,40)/b19-9+,20-10-/t18-,21+,22-,23+,24+,25+,26+,27-,28+,31-,33-/m1/s1

SMILES (Click to copy)

C1C(=C)/C(=C\C=C2\[C@]3([H])CC[C@@]([C@@](C)([H])C[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(=O)O)O4)C(=O)C(O)(C)C)([H])[C@@]3(C)CCC\2)/C[C@@H](O)C1