LIPID MAPS

Common Name

Tetrahydroaldosterone-3-glucuronide

Systematic Name

(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-{[(2S,14S,16S)-18-hydroxy-2-(2-hydroxyacetyl)-14-methyl-17-oxapentacyclo[14.2.1.0^{1,5}.0^{6,15}.0^{9,14}]nonadecan-11-yl]oxy}oxane-2-carboxylic acid

Synonyms

LM ID

LMST05010067

Status

Active

Exact Mass

Calculate m/z

540.257065

Formula

C₂₇H₄₀O₁₁

Abbrev

ST 21:2;O5;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)

CGIURIOFMWUPSV-QXFYTWHUSA-N

InChi (Click to copy)

InChI=1S/C27H40O11/c1-26-7-6-12(36-24-21(32)19(30)20(31)22(38-24)23(33)34)8-11(26)2-3-13-14-4-5-15(16(29)10-28)27(14)9-17(18(13)26)37-25(27)35/h11-15,17-22,24-25,28,30-32,35H,2-10H2,1H3,(H,33,34)/t11-,12-,13+,14+,15-,17+,18-,19+,20+,21-,22+,24-,25?,26+,27-/m1/s1

SMILES (Click to copy)

O1C(O)[C@@]23[C@@H](C(CO)=O)CC[C@@]2([H])[C@]2([H])CC[C@]4([H])C[C@H](O[C@H]5[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O5)O)O)O)CC[C@]4(C)[C@@]2([H])[C@]1([H])C3

Reference

Isolation of tetrahydroaldosterone 3beta-glucosiduronic acid from urine.
J Steroid Biochem, 1976
DOI: 10.1016/0022-4731(76)90062-5
PMID: 185464