LIPID MAPS

Common Name

Aldosterone 18-glucuronide

Systematic Name

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

Synonyms

LM ID

LMST05010062

Status

Active

Exact Mass

Calculate m/z

536.225765

Formula

C₂₇H₃₆O₁₁

Abbrev

ST 21:4;O5;GlcA

Show lipids differing only in stereochemistry/bond geometry

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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)

OMRIQCUHVVBJKI-RTLDGYSQSA-N

InChi (Click to copy)

InChI=1S/C27H36O11/c1-26-7-6-12(29)8-11(26)2-3-13-14-4-5-15(16(30)10-28)27(14)9-17(18(13)26)36-25(27)38-24-21(33)19(31)20(32)22(37-24)23(34)35/h8,13-15,17-22,24-25,28,31-33H,2-7,9-10H2,1H3,(H,34,35)/t13-,14-,15+,17+,18+,19-,20-,21+,22-,24-,25?,26-,27?/m0/s1

SMILES (Click to copy)

O1C(C23[C@@H](C(CO)=O)CC[C@@]2([H])[C@]2([H])CCC4=CC(CC[C@]4(C)[C@@]2([H])[C@@]1([H])C3)=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O1)O)O)O