LIPID MAPS

Structure Database (LMSD)

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

Formula

C₂₇H₄₀O₁₁

Exact Mass

Calculate m/z

540.257065

Sum Composition

ST 21:2;O5;GlcA

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Homo sapiens (#9606)

Mammalia (#40674)

Isolation of tetrahydroaldosterone 3beta-glucosiduronic acid from urine.,
J Steroid Biochem, 1976

Pubmed ID: 185464

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