CHEBI:88370 - hexan-2-ol

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ChEBI Name hexan-2-ol
ChEBI ID CHEBI:88370
Definition A hexanol in which the hydroxy group is at position 2.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB4206422, eMolecules:480317
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Formula C6H14O
Net Charge 0
Average Mass 102.177
Monoisotopic Mass 102.10447
InChI InChI=1S/C6H14O/c1-3-4-5-6(2)7/h6-7H,3-5H2,1-2H3
InChIKey QNVRIHYSUZMSGM-UHFFFAOYSA-N
SMILES CCCCC(C)O
Metabolite of Species Details
Osyris wightiana (NCBI:txid210363) See: PubMed
Homo sapiens (NCBI:txid9606) Found in saliva (UBERON:0001836). See: PubMed
Roles Classification
Biological Role(s): semiochemical
A molecular messenger released by an organism that affects the behaviour within or between species.
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
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ChEBI Ontology
Outgoing hexan-2-ol (CHEBI:88370) has role human metabolite (CHEBI:77746)
hexan-2-ol (CHEBI:88370) has role plant metabolite (CHEBI:76924)
hexan-2-ol (CHEBI:88370) has role semiochemical (CHEBI:26645)
hexan-2-ol (CHEBI:88370) is a hexanol (CHEBI:143552)
hexan-2-ol (CHEBI:88370) is a secondary alcohol (CHEBI:35681)
IUPAC Name
hexan-2-ol
Synonyms Sources
1-methyl-1-pentanol ChEBI
2-hexanol ChemIDplus
2-hexyl alcohol NIST Chemistry WebBook
2-hydroxyhexane ChemIDplus
hexan-2-ol UniProt
n-butylmethylcarbinol NIST Chemistry WebBook
n-C4H9CH(OH)CH3 NIST Chemistry WebBook
n-hexan-2-ol NIST Chemistry WebBook
sec-hexyl alcohol ChemIDplus
Manual Xrefs Databases
11794 ChemSpider
2-Hexanol Wikipedia
CPD-18993 MetaCyc
FDB004514 FooDB
HMDB0061886 HMDB
LMFA05000467 LIPID MAPS
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Registry Numbers Types Sources
1718996 Reaxys Registry Number Reaxys
626-93-7 CAS Registry Number ChemIDplus
626-93-7 CAS Registry Number NIST Chemistry WebBook
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Last Modified
07 October 2021