LIPID MAPS

Structure Database (LMSD)

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Common Name

Adrenosterone

Systematic Name

4-Androstenl-3,11,17-trione

Synonyms

11-keto-androstenedione
Reichstein's substance G

LM ID

LMST02020126

Formula

C₁₉H₂₄O₃

Exact Mass

Calculate m/z

300.172545

Sum Composition

ST 19:4;O3

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Homo sapiens (#9606)

Mammalia (#40674)

A new dawn for androgens: Novel lessons from 11-oxygenated C19 steroids.,
Mol Cell Endocrinol, 2017

Pubmed ID: 27519632

String Representations

InChiKey (Click to copy)

RZRPTBIGEANTGU-IRIMSJTPSA-N

InChi (Click to copy)

InChI=1S/C19H24O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h9,13-14,17H,3-8,10H2,1-2H3/t13-,14-,17+,18-,19-/m0/s1

SMILES (Click to copy)

C1CC(=O)C=C2CC[C@@]3([H])[C@@]4(CCC(=O)[C@@]4(C)CC(=O)[C@]3([H])[C@@]12C)[H]

Other Databases

Wikipedia

Adrenosterone

KEGG ID

C05285

CHEBI ID

2495

PubChem CID

223997

Calculated Physicochemical Properties

Heavy Atoms 22

Rings 4

Aromatic Rings

Rotatable Bonds

Van der Waals Molecular Volume 303.63

Topological Polar Surface Area 51.21

Hydrogen Bond Donors

Hydrogen Bond Acceptors 3

logP 3.27

Molar Refractivity 82.11

Admin

Created at

10th Mar 2023

Updated at