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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:88815 - heptan-2-ol
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ChEBI Name
heptan-2-ol
ChEBI ID
CHEBI:88815
Definition
A secondary alcohol that is heptane substituted by a hydroxy group at position 2.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C7H16O
Net Charge
0
Average Mass
116.204
Monoisotopic Mass
116.12012
InChI
InChI=1S/C7H16O/c1-3-4-5-6-7(2)8/h7-8H,3-6H2,1-2H3
InChIKey
CETWDUZRCINIHU-UHFFFAOYSA-N
SMILES
CCCCCC(C)O
Metabolite of Species
Details
Bacillus subtilis
(NCBI:txid1423)
of strain N-18 See:
PubMed
Homo sapiens
(NCBI:txid9606)
Found in faeces
(UBERON:0001988)
. See:
PubMed
Roles Classification
Biological Role
(s):
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
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
(2
S
)-2-heptanol (
CHEBI:87378
)
is a
heptan-2-ol (
CHEBI:88815
)
IUPAC Name
heptan-2-ol
Synonyms
Sources
1-methylhexanol
ChEBI
2-heptanol
ChEBI
2-heptyl alcohol
ChEBI
2-hydroxyheptane
ChEBI
amyl methyl carbinol
ChEBI
methyl amyl carbinol
ChEBI
s
-heptyl alcohol
ChEBI
Manual Xrefs
Databases
2-Heptanol
Wikipedia
CPD-18994
MetaCyc
HMDB0033908
HMDB
LMFA05000615
LIPID MAPS
View more database links
Registry Number
Type
Source
543-49-7
CAS Registry Number
NIST Chemistry WebBook
Citations
Types
Sources
21970810
PubMed citation
Europe PMC
24301814
PubMed citation
Europe PMC
36183375
PubMed citation
Europe PMC
36354848
PubMed citation
Europe PMC
36675290
PubMed citation
Europe PMC
36677543
PubMed citation
Europe PMC
36838536
PubMed citation
Europe PMC
IND44012032
Agricola citation
Europe PMC
IND608001810
Agricola citation
Europe PMC
Last Modified
25 October 2023