Structure Database (LMSD)

Common Name
beta-Allocortol
Systematic Name
5α-pregnane-3α, 11β ,17, 20R, 21-pentol
Synonyms
LM ID
LMST02030233
Status
Active
Exact Mass
Calculate m/z
368.256275
Formula
C21H36O5
Abbrev
ST 21:0;O5
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".

Main

Classification

Category
Main Class
Sub Class
Sterol Lipids [ST]
Steroids [ST02]
C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203]

String Representations

InChiKey (Click to copy)
FFPUNPBUZDTHJI-MSCBHBOZSA-N
InChi (Click to copy)
SMILES (Click to copy)
C[C@@]12C[C@@H](O)[C@@H]3[C@H](CC[C@@H]4C[C@@H](O)CC[C@]43C)[C@H]1CC[C@@]2(O)[C@@H](O)CO

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Metabolic transformation of hydrocortisone-4-C14 in normal men.,
J Biol Chem, 1960
Pubmed ID: 13825604

Other Databases

PubChem CID
12304025

Admin

Created at
9th Aug 2019
Updated at
9th Aug 2019