CHEBI:80945 - octan-3-ol

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ChEBI Name octan-3-ol
ChEBI ID CHEBI:80945
Definition An aliphatic alcohol that is octane substituted by a hydroxy group at position 3.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C8H18O
Net Charge 0
Average Mass 130.231
Monoisotopic Mass 130.13577
InChI InChI=1S/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3
InChIKey NMRPBPVERJPACX-UHFFFAOYSA-N
SMILES CCC(CCCCC)O
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing octan-3-ol (CHEBI:80945) has role metabolite (CHEBI:25212)
octan-3-ol (CHEBI:80945) is a aliphatic alcohol (CHEBI:2571)
octan-3-ol (CHEBI:80945) is a octanol (CHEBI:37868)
IUPAC Name
octan-3-ol
Synonyms Sources
1-ethylhexanol ChemIDplus
3-octanol ChemIDplus
amyl ethyl carbinol ChemIDplus
ethyl amyl carbinol ChemIDplus
ethylhexyl alcohol ChEBI
Manual Xrefs Databases
C00035495 KNApSAcK
C17144 KEGG COMPOUND
HMDB0030070 HMDB
LMFA05000568 LIPID MAPS
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Registry Numbers Types Sources
1719307 Reaxys Registry Number Reaxys
589-98-0 CAS Registry Number NIST Chemistry WebBook
589-98-0 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
12659717 PubMed citation Europe PMC
25524148 PubMed citation Europe PMC
Last Modified
03 May 2019