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InChI=1S/CH4O/c1-2/h2H,1H3
,
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> Main
CHEBI:30846 - 3-furoic acid
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ChEBI Ontology
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ChEBI Name
3-furoic acid
ChEBI ID
CHEBI:30846
Definition
A furoic acid carrying the carboxy group at position 3.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C5H4O3
Net Charge
0
Average Mass
112.08346
Monoisotopic Mass
112.01604
InChI
InChI=1S/C5H4O3/c6-5(7)4-1-2-8-3-4/h1-3H,(H,6,7)
InChIKey
IHCCAYCGZOLTEU-UHFFFAOYSA-N
SMILES
OC(=O)c1ccoc1
Metabolite of Species
Details
Homo sapiens
(NCBI:txid9606)
urine samples See:
PubMed
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Biological Role
(s):
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
3-furoic acid (
CHEBI:30846
)
has role
human metabolite (
CHEBI:77746
)
3-furoic acid (
CHEBI:30846
)
is a
furoic acid (
CHEBI:36055
)
3-furoic acid (
CHEBI:30846
)
is conjugate acid of
3-furoate (
CHEBI:30847
)
Incoming
1
S
,6
R
-di(2-)methylbutanoyloxy-4
S
-hydroxy-8
S
-benzoyloxy-9
R
-(3-)furancarbonyloxy-13-acetyloxy-β-dihydroagarofuran (
CHEBI:65878
)
has functional parent
3-furoic acid (
CHEBI:30846
)
2,5-dimethyl-N-[(phenylmethylene)amino]-3-furancarboxamide (
CHEBI:121994
)
has functional parent
3-furoic acid (
CHEBI:30846
)
2-methyl-N-(3-pyridinylmethylideneamino)-3-furancarboxamide (
CHEBI:108439
)
has functional parent
3-furoic acid (
CHEBI:30846
)
2-methyl-N-[(5-methyl-2-furanyl)methylideneamino]-3-furancarboxamide (
CHEBI:117219
)
has functional parent
3-furoic acid (
CHEBI:30846
)
2-methyl-N-[1-(3-pyridinyl)ethylideneamino]-3-furancarboxamide (
CHEBI:119775
)
has functional parent
3-furoic acid (
CHEBI:30846
)
5-(tert-butyl)-2-methyl-N-(5-methyl-3-isoxazolyl)-3-furamide (
CHEBI:183329
)
has functional parent
3-furoic acid (
CHEBI:30846
)
N-[(2-bromo-3-phenylprop-2-enylidene)amino]-2,5-dimethyl-3-furancarboxamide (
CHEBI:105201
)
has functional parent
3-furoic acid (
CHEBI:30846
)
orbiculin D (
CHEBI:66825
)
has functional parent
3-furoic acid (
CHEBI:30846
)
orbiculin E (
CHEBI:66826
)
has functional parent
3-furoic acid (
CHEBI:30846
)
orbiculin F (
CHEBI:66827
)
has functional parent
3-furoic acid (
CHEBI:30846
)
orbiculin H (
CHEBI:66829
)
has functional parent
3-furoic acid (
CHEBI:30846
)
orbiculin I (
CHEBI:66830
)
has functional parent
3-furoic acid (
CHEBI:30846
)
3-furoate (
CHEBI:30847
)
is conjugate base of
3-furoic acid (
CHEBI:30846
)
IUPAC Name
furan-3-carboxylic acid
Synonyms
Sources
3-carboxyfuran
ChEBI
3-furancarboxylic acid
NIST Chemistry WebBook
3-furoic acid
IUPAC
Manual Xref
Database
HMDB0000444
HMDB
View more database links
Registry Numbers
Types
Sources
108638
Reaxys Registry Number
Reaxys
488-93-7
CAS Registry Number
NIST Chemistry WebBook
488-93-7
CAS Registry Number
ChemIDplus
675135
Gmelin Registry Number
Gmelin
Citation
Type
Source
2338430
PubMed citation
Europe PMC
Last Modified
16 July 2015