2-Methylpropane-1,2-diol (BioCAD00000002678)

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Metabolite Card

Formula: C4H10O2 (90.0681)
SMILES: CC(C)(CO)O

Synonyms [en]

2-Methylpropane-1,2-diol; Isobutene glycol; 2-HYDROXY-2-METHYL-1-PROPYL ALCOHOL; 4CA35H88JE; 2-Methyl-2-hydroxy-1-propanol; UNII-4CA35H88JE

Reviewed

Last reviewed on 2024-06-28.

Cite this Page

2-Methylpropane-1,2-diol. 数据之源，洞见之始. SMRUCC genomics institute, a synthetic life researcher from China. https://biocad_registry.innovation.ac.cn/s/(-)-arctiin (retrieved 2026-01-03) (CAD Registry RN: BioCAD00000002678). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Note

2-methylpropane-1,2-diol is a glycol that is 2-methylpropane in which the two hydroxy groups are located at positions 1 and 2.. It has a role as a mouse metabolite, a rat metabolite, a human urinary metabolite, a human xenobiotic metabolite and a bacterial xenobiotic metabolite. It is a primary alcohol, a glycol and a tertiary alcohol. It derives from a hydride of an isobutane.

Entity Information

DBLinks

Other DBLinks
  • CAS Registry Number: 558-43-0
  • PubChem: 68410
  • ChEBI: ChEBI:131845
  • KEGG: C21290
  • Coconut NaturalProduct: CNP0307478.0

Class / Ontology

Metabolic Network
ID EC Number Name
KEGG:R11338 1.1.1.400 2-methylpropane-1,2-diol:NAD+ 1-oxidoreductase
KEGG:R11447 1.14.13.229 tert-butyl alcohol,NADPH:oxygen oxidoreductase
Rhea:RHEA:23553 1.1.1.400 2-methylpropane-1,2-diol + NAD+ => 2-hydroxy-2-methylpropanal + NADH + H+
Rhea:RHEA:23554 1.1.1.400 2-hydroxy-2-methylpropanal + NADH + H+ => 2-methylpropane-1,2-diol + NAD+
Rhea:RHEA:23555 1.1.1.400 2-methylpropane-1,2-diol + NAD+ <=> 2-hydroxy-2-methylpropanal + NADH + H+
Rhea:RHEA:50013 1.14.13.229 tert-butanol + NADPH + O2 + H+ => 2-methylpropane-1,2-diol + NADP+ + H2O
Rhea:RHEA:50014 1.14.13.229 2-methylpropane-1,2-diol + NADP+ + H2O => tert-butanol + NADPH + O2 + H+
Rhea:RHEA:50015 1.14.13.229 tert-butanol + NADPH + O2 + H+ <=> 2-methylpropane-1,2-diol + NADP+ + H2O
BioCyc:RXN-17602 1.1.1.400 CPD-19013 + NAD --> CPD-19037 + NADH + PROTON
BioCyc:RXN-17589 3.3.2.10 CPD-19010 + WATER --> CPD-19013
BioCyc:RXN-17610 1.14.13.229 CPD-19012 + OXYGEN-MOLECULE + NADPH + PROTON --> CPD-19013 + NADP + WATER
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Organism Source

Taxonomy Source

  1. Homo sapiens [ncbi taxid: 9606]
  2. Mus musculus [ncbi taxid: 10090]
  3. Rattus norvegicus [ncbi taxid: 10116]

Pathway Synthetic

pathway id name
BioCyc:META_PWY-7778 2-methylpropene degradation
BioCyc:META_PWY-7779 methyl tert-butyl ether degradation
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