Structure Database (LMSD)

Common Name
alpha-Allocortol
Systematic Name
5α-pregnane-3α, 11β ,17, 20S, 21-pentol
Synonyms
LM ID
LMST02030231
Status
Active
Exact Mass
Calculate m/z
368.256275
Formula
C21H36O5
Abbrev
ST 21:0;O5
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".

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-WADORXLQSA-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

Reference
Metabolic Transformation of Hydrocortisone-4-C14 in Normal Men.
J. Biol. Chem. 1960 235: 2246-2252.
http://www.jbc.org/content/235/8/2246.full.pdf

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
12304026

Admin

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