MiMeDB: Showing metabocard for Hypomurocin B-3b (MMDBc0019454)

Microbial

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-05-15 09:31:06 UTC

Update Date

2022-08-12 20:01:03 UTC

Metabolite ID

MMDBc0019454

Metabolite Identification

Common Name

Hypomurocin B-3b

Description

Hypomurocin B-3b belongs to the class of organic compounds known as polypeptides. These are peptides containing ten or more amino acid residues. Based on a literature review very few articles have been published on Hypomurocin B-3b.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Molecular Formula

C₈₀H₁₄₀N₂₀O₂₂

Average Mass

1734.118

Monoisotopic Mass

1733.045106228

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C80H140N20O22/c1-27-80(26,97-60(110)47(31-33-54(82)105)89-67(117)75(16,17)94-61(111)48(35-40(2)3)85-57(107)44(10)84-59(109)51(39-102)90-66(116)74(14,15)92-45(11)103)71(121)91-56(43(8)9)64(114)96-73(12,13)65(115)83-37-55(106)93-77(20,21)69(119)99-79(24,25)72(122)100-34-28-29-52(100)63(113)86-49(36-41(4)5)62(112)95-78(22,23)70(120)98-76(18,19)68(118)88-46(30-32-53(81)104)58(108)87-50(38-101)42(6)7/h40-44,46-52,56,101-102H,27-39H2,1-26H3,(H2,81,104)(H2,82,105)(H,83,115)(H,84,109)(H,85,107)(H,86,113)(H,87,108)(H,88,118)(H,89,117)(H,90,116)(H,91,121)(H,92,103)(H,93,106)(H,94,111)(H,95,112)(H,96,114)(H,97,110)(H,98,120)(H,99,119)

InChI Key

AGXWFKNWQFBFLQ-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as polypeptides. These are peptides containing ten or more amino acid residues.

Kingdom

Organic compounds

Super Class

Organic Polymers

Class

Polypeptides

Sub Class

Not Available

Direct Parent

Polypeptides

Alternative Parents

Substituents

Polypeptide
Alpha peptide
Leucine or derivatives
Valine or derivatives
Proline or derivatives
N-acyl-alpha amino acid or derivatives
Alpha-amino acid amide
Serine or derivatives
Alanine or derivatives
N-substituted-alpha-amino acid
Alpha-amino acid or derivatives
N-acylpyrrolidine
Pyrrolidine carboxylic acid or derivatives
Pyrrolidine-2-carboxamide
Fatty amide
N-acyl-amine
Fatty acyl
Pyrrolidine
Acetamide
Tertiary carboxylic acid amide
Secondary carboxylic acid amide
Carboxamide group
Carboximidic acid
Carboximidic acid derivative
Carboxylic acid derivative
Azacycle
Organoheterocyclic compound
Hydrocarbon derivative
Organic nitrogen compound
Organic oxide
Alcohol
Carbonyl group
Organic oxygen compound
Organopnictogen compound
Primary alcohol
Organonitrogen compound
Organooxygen compound
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Not Available

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View

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
Eukaryota/Fungi	Ascomycota	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

78444890

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

139588498

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Showing metabocard for Hypomurocin B-3b (MMDBc0019454)

MOL for #<Metabolite:0x00007f8dd1810810>

3D MOL for #<Metabolite:0x00007f8dd1810810>

3D SDF for #<Metabolite:0x00007f8dd1810810>

3D-SDF for #<Metabolite:0x00007f8dd1810810>

PDB for #<Metabolite:0x00007f8dd1810810>

3D PDB for #<Metabolite:0x00007f8dd1810810>

SMILES for #<Metabolite:0x00007f8dd1810810>

INCHI for #<Metabolite:0x00007f8dd1810810>

Structure for #<Metabolite:0x00007f8dd1810810>

3D Structure for #<Metabolite:0x00007f8dd1810810>