MiMeDB: Showing metabocard for Wortmannin (MMDBc0013721)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-05-15 04:58:34 UTC

Update Date

2024-10-11 00:18:59 UTC

Metabolite ID

MMDBc0013721

Metabolite Identification

Common Name

Wortmannin

Description

Wortmannin belongs to the class of organic compounds known as oxasteroids and derivatives. These are steroid derivatives where a carbon atom of the steroid is replaced by an oxygen atom. Wortmannin is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Wartmannin	ChEBI
(1S,6BR,9As,11R,11BR)-9a,11b-dimethyl-1-[(methyloxy)methyl]-3,6,9-trioxo-1,6,6b,7,8,9,9a,10,11,11b-decahydro-3H-furo[4,3,2-de]indeno[4,5-H][2]benzopyran-11-yl acetic acid	Generator
MS-54	MeSH
MS 54	MeSH
Wortmannin	MeSH

Molecular Formula

C₂₃H₂₄O₈

Average Mass

428.4319

Monoisotopic Mass

428.147117744

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3/t12-,13+,15+,22-,23-/m0/s1

InChI Key

QDLHCMPXEPAAMD-QAIWCSMKSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as oxasteroids and derivatives. These are steroid derivatives where a carbon atom of the steroid is replaced by an oxygen atom.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Sub Class

Oxasteroids and derivatives

Direct Parent

Oxasteroids and derivatives

Alternative Parents

Substituents

2-oxasteroid
Naphthopyran
Naphthofuran
Naphthalene
Furoic acid ester
Furopyran
Furoic acid or derivatives
Aryl ketone
Dicarboxylic acid or derivatives
Pyran
Furan
Heteroaromatic compound
Carboxylic acid ester
Ketone
Lactone
Carboxylic acid derivative
Dialkyl ether
Ether
Oxacycle
Organoheterocyclic compound
Organic oxide
Hydrocarbon derivative
Organic oxygen compound
Carbonyl group
Organooxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

cyclic ketone (CHEBI:52289 )
organic heteropentacyclic compound (CHEBI:52289 )
acetate ester (CHEBI:52289 )
delta-lactone (CHEBI:52289 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Not Available

Spectra

Not Available

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Not Available

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Eukaryota/Fungi	Ascomycota	3	Human feces	Metabolic reconstruction

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference

External Links

HMDB ID

Not Available

DrugBank ID

DB08059

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

C00023672

Chemspider ID

Not Available

KEGG Compound ID

C15181

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Wortmannin

METLIN ID

Not Available

PubChem Compound

312145

PDB ID

Not Available

ChEBI ID

52289

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

van Santen JA, Poynton EF, Iskakova D, McMann E, Alsup TA, Clark TN, Fergusson CH, Fewer DP, Hughes AH, McCadden CA, Parra J, Soldatou S, Rudolf JD, Janssen EM, Duncan KR, Linington RG: The Natural Products Atlas 2.0: a database of microbially-derived natural products. Nucleic Acids Res. 2022 Jan 7;50(D1):D1317-D1323. doi: 10.1093/nar/gkab941. [PubMed:34718710 ]

Showing metabocard for Wortmannin (MMDBc0013721)

MOL for #<Metabolite:0x00007f46c4ea15c0>

3D MOL for #<Metabolite:0x00007f46c4ea15c0>

3D SDF for #<Metabolite:0x00007f46c4ea15c0>

3D-SDF for #<Metabolite:0x00007f46c4ea15c0>

PDB for #<Metabolite:0x00007f46c4ea15c0>

3D PDB for #<Metabolite:0x00007f46c4ea15c0>

SMILES for #<Metabolite:0x00007f46c4ea15c0>

INCHI for #<Metabolite:0x00007f46c4ea15c0>

Structure for #<Metabolite:0x00007f46c4ea15c0>

3D Structure for #<Metabolite:0x00007f46c4ea15c0>