LIPID MAPS

Structure Database (LMSD)

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Common Name

Clathroid A

Systematic Name

20-oxo-5α-pregnan-3β,12β,16β-triol 3β-yl pent-3E-enoate 3

Synonyms

LM ID

LMST02030242

Formula

C₂₆H₄₀O₅

Exact Mass

Calculate m/z

432.287575

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

GXTCDXSDLYZXJO-SPVZTFGQSA-N

InChi (Click to copy)

InChI=1S/C26H40O5/c1-5-6-7-23(30)31-17-10-11-25(3)16(12-17)8-9-18-19(25)14-22(29)26(4)20(18)13-21(28)24(26)15(2)27/h5-6,16-22,24,28-29H,7-14H2,1-4H3/b6-5+/t16-,17-,18+,19-,20-,21-,22+,24-,25-,26+/m0/s1

SMILES (Click to copy)

[C@@]12([H])C[C@H](O)[C@]([H])(C(=O)C)[C@@]1(C)[C@H](O)C[C@]1([H])[C@@]3(C)CC[C@H](OC(=O)C/C=C/C)C[C@]3([H])CC[C@@]21[H]

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Clathria (#81539)

Demospongiae (#6042)

Anti-inflammatory pregnane-type steroid derivatives clathroids A-B from the marine Microcionidae sponge Clathria (Thalysias) vulpina: Prospective duel inhibitors of pro-inflammatory cyclooxygenase-2 and 5-lipoxygenase.,
Steroids, 2021

Pubmed ID: 33971206