MiMeDB: Showing metabocard for D-Lactaldehyde (MMDBc0032841)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-18 22:01:49 UTC

Update Date

2022-08-31 21:44:18 UTC

MiMeDB ID

MMDBc0032841

Metabolite Identification

Common Name

D-Lactaldehyde

Description

D- and L-lactaldehyde are also good substrates for aldose reductase. The aldose reductase-catalyzed reduction of methylglyoxal produces 95% acetol, 5% D-lactaldehyde.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
D-2-Hydroxypropionaldehyde	ChEBI
(2R)-2-Hydroxypropanal	HMDB
(R)-Lactaldehyde	HMDB

Chemical Formula

C₃H₆O₂

Average Molecular Weight

74.0785

Monoisotopic Molecular Weight

74.036779436

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

3946-09-6

SMILES

Not Available

InChI Identifier

InChI=1S/C3H6O2/c1-3(5)2-4/h2-3,5H,1H3/t3-/m1/s1

InChI Key

BSABBBMNWQWLLU-GSVOUGTGSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as alpha-hydroxyaldehydes. These are organic compounds containing an aldehyde substituted with a hydroxyl group on the adjacent carbon.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbonyl compounds

Direct Parent

Alpha-hydroxyaldehydes

Alternative Parents

Substituents

Alpha-hydroxyaldehyde
Secondary alcohol
Organic oxide
Hydrocarbon derivative
Short-chain aldehyde
Alcohol
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

lactaldehyde (CHEBI:17167 )

Functional Ontology

Not Available

Physical Properties

State

Solid

Predicted Properties

Not Available

Spectra

Not Available

Biological Properties

Cellular Locations

Cytoplasm
Mitochondria

Biospecimen Locations

Feces

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Proteins

#<MetaboliteProteinLink:0x000055b76dec7208>

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Related Health Condition	Evidence Type	Measured in Matrix	Data Source	Reference

Microbial Sources

Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
	Proteobacteria	42	Human ; Human Feces; Pig	Unknown; Metabolic reconstruction
	Actinobacteria	13	Human Feces; Human	Metabolic reconstruction
	Bacteroidetes	19	Human Feces	Metabolic reconstruction
	Firmicutes	68	Human Feces; Human	Metabolic reconstruction
	Spirochaetes	1	Human Feces	Metabolic reconstruction
	Synergistetes	1	Human Feces	Metabolic reconstruction
	Fusobacteria	1	Human	Metabolic reconstruction
	Crenarchaeota	1	Human Feces	Metabolic reconstruction
Fungi	Ascomycota	1	Human Feces	Unknown

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference	Details

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference
Human Feces	Detected but not Quantified									HMDB		details

External Links

HMDB ID

HMDB0006458

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB023918

KNApSAcK ID

Not Available

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Wikipedia Link

METLIN ID

Not Available

PubChem Compound

439350

PDB ID

Not Available

ChEBI ID

17167

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Vander Jagt DL, Robinson B, Taylor KK, Hunsaker LA: Reduction of trioses by NADPH-dependent aldo-keto reductases. Aldose reductase, methylglyoxal, and diabetic complications. J Biol Chem. 1992 Mar 5;267(7):4364-9. [PubMed:1537826 ]
Hazen SL, Hsu FF, d'Avignon A, Heinecke JW: Human neutrophils employ myeloperoxidase to convert alpha-amino acids to a battery of reactive aldehydes: a pathway for aldehyde generation at sites of inflammation. Biochemistry. 1998 May 12;37(19):6864-73. doi: 10.1021/bi972449j. [PubMed:9578573 ]
HUANG PC, MILLER ON: The metabolism of lactaldehyde. V. Metabolism of L-fucose. J Biol Chem. 1958 Mar;231(1):201-5. [PubMed:13538961 ]

Showing metabocard for D-Lactaldehyde (MMDBc0032841)

MOL for #<Metabolite:0x000055b76df79f20>

3D MOL for #<Metabolite:0x000055b76df79f20>

3D SDF for #<Metabolite:0x000055b76df79f20>

3D-SDF for #<Metabolite:0x000055b76df79f20>

PDB for #<Metabolite:0x000055b76df79f20>

3D PDB for #<Metabolite:0x000055b76df79f20>

SMILES for #<Metabolite:0x000055b76df79f20>

INCHI for #<Metabolite:0x000055b76df79f20>

Structure for #<Metabolite:0x000055b76df79f20>

3D Structure for #<Metabolite:0x000055b76df79f20>