MiMeDB: Showing metabocard for Teicoplanin A2-3 (MMDBc0020172)

Microbial

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-05-15 10:07:16 UTC

Update Date

2022-08-12 20:01:19 UTC

Metabolite ID

MMDBc0020172

Metabolite Identification

Common Name

Teicoplanin A2-3

Description

Teichomycin A2 factor 3, also known as teichomycin or targocid, belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. Teichomycin A2 factor 3 is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. Based on a literature review very few articles have been published on Teichomycin A2 factor 3.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
34-O-(2-(Acetylamino)-2-deoxy-beta-D-glucopyranosyl)-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-(2-deoxy-2-((1-oxodecyl)amino)-beta-D-glucopyranosyl)-42-O-alpha-D-mannopyranosylristomycin a aglycone	ChEBI
34-O-[2-(Acetamido)-2-deoxy-beta-D-glucopyranosyl]-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-{2-deoxy-2-[(1-oxodecyl)amino]-beta-D-glucopyranosyl}-42-O-alpha-D-mannopyranosylristomycin a aglycone	ChEBI
34-O-(2-(Acetylamino)-2-deoxy-b-D-glucopyranosyl)-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-(2-deoxy-2-((1-oxodecyl)amino)-b-D-glucopyranosyl)-42-O-a-D-mannopyranosylristomycin a aglycone	Generator
34-O-(2-(Acetylamino)-2-deoxy-β-D-glucopyranosyl)-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-(2-deoxy-2-((1-oxodecyl)amino)-β-D-glucopyranosyl)-42-O-α-D-mannopyranosylristomycin a aglycone	Generator
34-O-[2-(Acetamido)-2-deoxy-b-D-glucopyranosyl]-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-{2-deoxy-2-[(1-oxodecyl)amino]-b-D-glucopyranosyl}-42-O-a-D-mannopyranosylristomycin a aglycone	Generator
34-O-[2-(Acetamido)-2-deoxy-β-D-glucopyranosyl]-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-{2-deoxy-2-[(1-oxodecyl)amino]-β-D-glucopyranosyl}-42-O-α-D-mannopyranosylristomycin a aglycone	Generator
Targocid	MeSH
Teichomycin	MeSH
Teichomycin a2	MeSH
Teicoplanin	MeSH
Teichomycin a2 factor 3	ChEBI

Molecular Formula

C₈₈H₉₇Cl₂N₉O₃₃

Average Mass

1879.67

Monoisotopic Mass

1877.556582

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C88H97Cl2N9O33/c1-3-4-5-6-7-8-9-10-60(108)94-68-74(113)71(110)58(32-101)129-87(68)132-78-55-26-40-27-56(78)126-52-18-14-38(24-47(52)90)77(131-86-67(92-34(2)103)73(112)70(109)57(31-100)128-86)69-84(121)98-66(85(122)123)45-29-42(105)30-54(127-88-76(115)75(114)72(111)59(33-102)130-88)61(45)44-23-37(13-15-49(44)106)63(81(118)99-69)96-83(120)65(40)97-82(119)64-39-21-41(104)28-43(22-39)124-53-25-36(12-16-50(53)107)62(91)80(117)93-48(79(116)95-64)20-35-11-17-51(125-55)46(89)19-35/h11-19,21-30,48,57-59,62-77,86-88,100-102,104-107,109-115H,3-10,20,31-33,91H2,1-2H3,(H,92,103)(H,93,117)(H,94,108)(H,95,116)(H,96,120)(H,97,119)(H,98,121)(H,99,118)(H,122,123)/t48-,57-,58-,59-,62-,63-,64+,65-,66+,67-,68-,69+,70-,71-,72-,73-,74-,75+,76+,77-,86+,87+,88+/m1/s1

InChI Key

BJNLLBUOHPVGFT-PKMGYIMSSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Oligopeptides

Alternative Parents

Substituents

Alpha-oligopeptide
Cyclic alpha peptide
Acylaminosugar
N-acyl-alpha-hexosamine
Phenolic glycoside
Alpha-amino acid amide
O-glycosyl compound
Glycosyl compound
Diaryl ether
Alpha-amino acid or derivatives
Aralkylamine
1-hydroxy-2-unsubstituted benzenoid
1-hydroxy-4-unsubstituted benzenoid
Aryl chloride
Fatty amide
Oxane
Fatty acyl
Monosaccharide
Benzenoid
N-acyl-amine
Aryl halide
Acetamide
Amino acid or derivatives
Amino acid
Carboxamide group
Lactam
Secondary carboxylic acid amide
Secondary alcohol
Polyol
Carboxylic acid
Oxacycle
Ether
Azacycle
Acetal
Monocarboxylic acid or derivatives
Organoheterocyclic compound
Organic oxygen compound
Alcohol
Hydrocarbon derivative
Organic nitrogen compound
Organonitrogen compound
Carbonyl group
Organooxygen compound
Organic oxide
Organopnictogen compound
Amine
Organochloride
Primary aliphatic amine
Primary alcohol
Organohalogen compound
Primary amine
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

teicoplanin A2 (CHEBI:34996 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Not Available

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View

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
Bacteria	Actinobacteria	1		Metabolic reconstruction

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

17288587

KEGG Compound ID

C13588

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

17748671

PDB ID

Not Available

ChEBI ID

34996

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Showing metabocard for Teicoplanin A2-3 (MMDBc0020172)

MOL for #<Metabolite:0x00007f9ad21caf60>

3D MOL for #<Metabolite:0x00007f9ad21caf60>

3D SDF for #<Metabolite:0x00007f9ad21caf60>

3D-SDF for #<Metabolite:0x00007f9ad21caf60>

PDB for #<Metabolite:0x00007f9ad21caf60>

3D PDB for #<Metabolite:0x00007f9ad21caf60>

SMILES for #<Metabolite:0x00007f9ad21caf60>

INCHI for #<Metabolite:0x00007f9ad21caf60>

Structure for #<Metabolite:0x00007f9ad21caf60>

3D Structure for #<Metabolite:0x00007f9ad21caf60>