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CHEBI:88815 - heptan-2-ol

ChEBI IDCHEBI:88815
ChEBI Nameheptan-2-ol
Stars
DefinitionA secondary alcohol that is heptane substituted by a hydroxy group at position 2.
Last Modified25 October 2023
DownloadsMolfile
FormulaC7H16O
Net Charge0
Average Mass116.204
Monoisotopic Mass116.12012
SMILESCCCCCC(C)O
InChIInChI=1S/C7H16O/c1-3-4-5-6-7(2)8/h7-8H,3-6H2,1-2H3
InChIKeyCETWDUZRCINIHU-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) faeces (UBERON:0001988) PubMed (21970810)
Bacillus subtilis (ncbitaxon:1423) - PubMed (36183375) Strain: N-18
Roles Classification
Biological Roles:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
heptan-2-ol (CHEBI:88815) has role bacterial metabolite (CHEBI:76969)
heptan-2-ol (CHEBI:88815) has role plant metabolite (CHEBI:76924)
heptan-2-ol (CHEBI:88815) is a heptanol (CHEBI:195607)
heptan-2-ol (CHEBI:88815) is a secondary alcohol (CHEBI:35681)
Incoming Relation(s)
(2S)-2-heptanol (CHEBI:87378) is a heptan-2-ol (CHEBI:88815)
IUPAC Name 
heptan-2-ol
Synonyms  Source
2-heptanolChEBI
2-hydroxyheptaneChEBI
methyl amyl carbinolChEBI
amyl methyl carbinolChEBI
s-heptyl alcoholChEBI
2-heptyl alcoholChEBI
Manual XrefsDatabases
HMDB0033908HMDB
2-HeptanolWikipedia
CPD-18994MetaCyc
LMFA05000615LIPID MAPS
Registry NumbersSources
CAS:543-49-7NIST Chemistry WebBook
Citations