MiMeDB: Showing metabocard for (2S,3R)-3-Geranyl-2,3-dihydro-2,Nα-cyclo-L-tryptophan (MMDBc0057160)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2022-11-09 19:19:27 UTC

Update Date

2022-11-09 19:19:27 UTC

Metabolite ID

MMDBc0057160

Metabolite Identification

Common Name

(2S,3R)-3-Geranyl-2,3-dihydro-2,Nα-cyclo-L-tryptophan

Description

(2S,3R)-3-geranyl-2,3-dihydro-2,N(alpha)-cyclo-L-tryptophan belongs to the class of organic compounds known as pyrroloindoles. Pyrroloindoles are compounds containing a pyrroloindole moiety, which is a tricyclic heterocycle which consists of a pyrrole ring fused to an indole. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Indole is a bicyclic compound consisting of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring. Based on a literature review very few articles have been published on (2S,3R)-3-geranyl-2,3-dihydro-2,N(alpha)-cyclo-L-tryptophan.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
3'-Geranyl-2',3'-dihydro-2',N2-cyclo-L-tryptophan	ChEBI
(2S,3R)-3-Geranyl-2,3-dihydro-2,N(a)-cyclo-L-tryptophan	Generator
(2S,3R)-3-Geranyl-2,3-dihydro-2,N(α)-cyclo-L-tryptophan	Generator

Molecular Formula

C₂₁H₂₈N₂O₂

Average Mass

340.467

Monoisotopic Mass

340.21507815

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

Not Available

InChI Key

RHTZDVPVGDDBTM-SQSKXRONSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pyrroloindoles. Pyrroloindoles are compounds containing a pyrroloindole moiety, which is a tricyclic heterocycle which consists of a pyrrole ring fused to an indole. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Indole is a bicyclic compound consisting of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Indoles and derivatives

Sub Class

Pyrroloindoles

Direct Parent

Pyrroloindoles

Alternative Parents

Substituents

Pyrroloindole
Alpha-amino acid or derivatives
Aromatic monoterpenoid
Monoterpenoid
L-alpha-amino acid
Indole
Dihydroindole
Pyrrolidine carboxylic acid
Pyrrolidine carboxylic acid or derivatives
Secondary aliphatic/aromatic amine
Benzenoid
Pyrrole
Pyrrolidine
Amino acid or derivatives
Amino acid
Azacycle
Secondary amine
Carboxylic acid derivative
Carboxylic acid
Monocarboxylic acid or derivatives
Secondary aliphatic amine
Hydrocarbon derivative
Organopnictogen compound
Organic oxide
Organonitrogen compound
Organooxygen compound
Carbonyl group
Organic oxygen compound
Organic nitrogen compound
Amine
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

monocarboxylic acid (CHEBI:35304 )

Functional Ontology

Not Available

Physical Properties

State

Not Available

Predicted Properties

Not Available

Spectra

Chromatographic Retention Times and Retention Indices

Retention Times

Not Available

Retention Indices

Not Available

Chromatographic Retention Times and Retention Indices

Retention Times

Not Available

Retention Indices

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

Microbial Pathways

Pathways

Not Available

Metabolic Reactions

Reactions

This table shows at most 20 reactions. For the full list of associated reactions:

See All Associated Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

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

Exposure Sources

Other Exposures

Source Type	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

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

6419720

PDB ID

Not Available

ChEBI ID

35304

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Bansal P, Morgat A, Axelsen KB, Muthukrishnan V, Coudert E, Aimo L, Hyka-Nouspikel N, Gasteiger E, Kerhornou A, Neto TB, Pozzato M, Blatter MC, Ignatchenko A, Redaschi N, Bridge A: Rhea, the reaction knowledgebase in 2022. Nucleic Acids Res. 2022 Jan 7;50(D1):D693-D700. doi: 10.1093/nar/gkab1016. [PubMed:34755880 ]

Showing metabocard for (2S,3R)-3-Geranyl-2,3-dihydro-2,Nα-cyclo-L-tryptophan (MMDBc0057160)

MOL for #<Metabolite:0x0000560be28b5648>

3D MOL for #<Metabolite:0x0000560be28b5648>

3D SDF for #<Metabolite:0x0000560be28b5648>

3D-SDF for #<Metabolite:0x0000560be28b5648>

PDB for #<Metabolite:0x0000560be28b5648>

3D PDB for #<Metabolite:0x0000560be28b5648>

SMILES for #<Metabolite:0x0000560be28b5648>

INCHI for #<Metabolite:0x0000560be28b5648>

Structure for #<Metabolite:0x0000560be28b5648>

3D Structure for #<Metabolite:0x0000560be28b5648>