MiMeDB: Showing metabocard for Sisomicin (MMDBc0009961)

Microbial

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-05-15 02:18:43 UTC

Update Date

2022-08-12 19:58:39 UTC

Metabolite ID

MMDBc0009961

Metabolite Identification

Common Name

Sisomicin

Description

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Antibiotic 6640	ChEBI
Dehydrogentamicin cla	ChEBI
O-2,6-Diamino-2,3,4,6-tetradeoxy-alpha-D-glycero-hex-4-enopyranosyl-(1-4)-O-(3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1-6))-2-deoxy-D-streptamine	ChEBI
Rickamicin	ChEBI
Sissomicin	ChEBI
SISO	Kegg
O-2,6-Diamino-2,3,4,6-tetradeoxy-a-D-glycero-hex-4-enopyranosyl-(1-4)-O-(3-deoxy-4-C-methyl-3-(methylamino)-b-L-arabinopyranosyl-(1-6))-2-deoxy-D-streptamine	Generator
O-2,6-Diamino-2,3,4,6-tetradeoxy-α-D-glycero-hex-4-enopyranosyl-(1-4)-O-(3-deoxy-4-C-methyl-3-(methylamino)-β-L-arabinopyranosyl-(1-6))-2-deoxy-D-streptamine	Generator
Sisomicin	ChEBI
4,5 Dehydrogentamicin	MeSH
Sisomicin sulfate (2:5) salt	MeSH
Extramycin	MeSH
Pathomycin	MeSH
Siseptin	MeSH
4,5-Dehydrogentamicin	MeSH
6640, Antibiotic	MeSH
Sizomycin	MeSH
Sisomicin sulfate	MeSH
Sisomycin	MeSH

Molecular Formula

C₁₉H₃₇N₅O₇

Average Mass

447.5264

Monoisotopic Mass

447.269298563

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C19H37N5O7/c1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17/h3,9-18,24-27H,4-7,20-23H2,1-2H3/t9-,10+,11-,12+,13-,14-,15+,16-,17-,18-,19+/m1/s1

InChI Key

URWAJWIAIPFPJE-YFMIWBNJSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as aminocyclitol glycosides. These are organic compounds containing an amicocyclitol moiety glycosidically linked to a carbohydrate moiety. There are two major classes of aminoglycosides containing a 2-streptamine core. They are called 4,5- and 4,6-disubstituted 2-deoxystreptamines.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Aminocyclitol glycosides

Alternative Parents

Substituents

Amino cyclitol glycoside
Glycosyl compound
O-glycosyl compound
Aminocyclitol or derivatives
Cyclohexanol
Cyclohexylamine
Cyclitol or derivatives
Monosaccharide
Oxane
Cyclic alcohol
Tertiary alcohol
1,2-aminoalcohol
Secondary alcohol
Acetal
Secondary aliphatic amine
Secondary amine
Organoheterocyclic compound
Oxacycle
Primary aliphatic amine
Hydrocarbon derivative
Organopnictogen compound
Organic nitrogen compound
Amine
Alcohol
Primary amine
Organonitrogen compound
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

monosaccharide derivative (CHEBI:9169 )
aminoglycoside antibiotic (CHEBI:9169 )
amino cyclitol glycoside (CHEBI:9169 )
beta-L-arabinoside (CHEBI:9169 )

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	2		Metabolic reconstruction; Microbial culture

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

DB12604

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

C00494

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Sisomicin

METLIN ID

Not Available

PubChem Compound

36119

PDB ID

Not Available

ChEBI ID

9169

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Showing metabocard for Sisomicin (MMDBc0009961)

MOL for #<Metabolite:0x00007fc976c6ada8>

3D MOL for #<Metabolite:0x00007fc976c6ada8>

3D SDF for #<Metabolite:0x00007fc976c6ada8>

3D-SDF for #<Metabolite:0x00007fc976c6ada8>

PDB for #<Metabolite:0x00007fc976c6ada8>

3D PDB for #<Metabolite:0x00007fc976c6ada8>

SMILES for #<Metabolite:0x00007fc976c6ada8>

INCHI for #<Metabolite:0x00007fc976c6ada8>

Structure for #<Metabolite:0x00007fc976c6ada8>

3D Structure for #<Metabolite:0x00007fc976c6ada8>