3-Butyn-1-al (BioCAD00000003397)

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Metabolite Card

Formula: C4H4O (68.0262)
SMILES: O=CCC#C

Synonyms [en]

3-Butyn-1-al; But-3-ynal; 3-butynal; 3-butyne-1-one; OGQNOIVDVXRWRE-UHFFFAOYSA-N; HC.equiv.CCH2CHO

Reviewed

Last reviewed on 2024-06-28.

Cite this Page

3-Butyn-1-al. 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: BioCAD00000003397). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Note

3-Butyn-1-al is an intermediate in Butanoate metabolism (KEGG ID C06145). It is the third to last step in the synthesis and degradation of ketone bodies and is converted from 3-Butyn-1-ol via the enzyme alcohol dehydrogenase (acceptor) [EC:1.1.99.8]. It is then converted to 3-Butynoate via the enzyme aldehyde dehydrogenase (NAD+) [EC:1.2.1.3].

Entity Information

DBLinks

Other DBLinks
  • CAS Registry Number: 51583-48-3
  • CAS Registry Number: 52844-23-2
  • PubChem: 142966
  • ChEBI: ChEBI:28180
  • HMDB: HMDB0006853
  • KEGG: C06145
  • RefMet: RM0118156
  • Metlin: METLIN_66349
  • Coconut NaturalProduct: CNP0596193.0

Class / Ontology

Metabolic Network
ID EC Number Name
KEGG:R05119 C06145 + C00003 + C00001<=>C06144 + C00004 + C00080
KEGG:R05120 C06145 + C00113 + C00001<=>C06144 + C01359
KEGG:R05121 C06145 + C01359<=>C06146 + C00113
Rhea:RHEA:31260 but-3-ynal + NAD+ + H2O => 3-butynoate + NADH + 2 H+
Rhea:RHEA:31261 3-butynoate + NADH + 2 H+ => but-3-ynal + NAD+ + H2O
Rhea:RHEA:31262 but-3-ynal + NAD+ + H2O <=> 3-butynoate + NADH + 2 H+
Rhea:RHEA:31264 but-3-ynal + pyrroloquinoline quinol + H+ => but-3-yn-1-ol + pyrroloquinoline quinone
Rhea:RHEA:31265 but-3-yn-1-ol + pyrroloquinoline quinone => but-3-ynal + pyrroloquinoline quinol + H+
Rhea:RHEA:31266 but-3-ynal + pyrroloquinoline quinol + H+ <=> but-3-yn-1-ol + pyrroloquinoline quinone
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Organism Source

Taxonomy Source

  1. Mus musculus [ncbi taxid: 10090]

Pathway Synthetic

pathway id name
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