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CHEBI:131368 - 2-methylene-1,4-butanediol

ChEBI IDCHEBI:131368
ChEBI Name2-methylene-1,4-butanediol
Stars
DefinitionA glycol that is 1,4-butanediol substituted at position 2 by a methylidene group.
Last Modified1 March 2017
Submittermwilliams
DownloadsMolfile
FormulaC5H10O2
Net Charge0
Average Mass102.133
Monoisotopic Mass102.06808
SMILESC=C(CO)CCO
InChIInChI=1S/C5H10O2/c1-5(4-7)2-3-6/h6-7H,1-4H2
InChIKeyYAJSVGNJAFUMAC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
- PubMed (26839171)
- MetaboLights (MTBLS298)
ChEBI Ontology
Outgoing Relation(s)
2-methylene-1,4-butanediol (CHEBI:131368) is a glycol (CHEBI:13643)
2-methylene-1,4-butanediol (CHEBI:131368) is a homoallylic alcohol (CHEBI:134362)
2-methylene-1,4-butanediol (CHEBI:131368) is a primary allylic alcohol (CHEBI:134394)
IUPAC Name 
2-methylidenebutane-1,4-diol
Manual XrefsDatabases
9621150ChemSpider
Registry NumbersSources
Reaxys:1740358Reaxys