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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:4581 - 7,8-dihydropteroic acid
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ChEBI Name
7,8-dihydropteroic acid
ChEBI ID
CHEBI:4581
Definition
A pteroic acid derivative arising from formal hydrogenation of the 7,8-double bond of pteroic acid.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C14H14N6O3
Net Charge
0
Average Mass
314.29960
Monoisotopic Mass
314.11274
InChI
InChI=1S/C14H14N6O3/c15-
14-
19-
11-
10(12(21)
20-
14)
18-
9(6-
17-
11)
5-
16-
8-
3-
1-
7(2-
4-
8)
13(22)
23/h1-
4,16H,5-
6H2,(H,22,23)
(H4,15,17,19,20,21)
InChIKey
WBFYVDCHGVNRBH-UHFFFAOYSA-N
SMILES
Nc1nc2NCC(CNc3ccc(cc3)C(O)=O)=Nc2c(=O)[nH]1
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
7,8-dihydropteroic acid (
CHEBI:4581
)
has functional parent
pteroic acid (
CHEBI:38794
)
7,8-dihydropteroic acid (
CHEBI:4581
)
is a
pteroic acids (
CHEBI:38795
)
7,8-dihydropteroic acid (
CHEBI:4581
)
is conjugate acid of
7,8-dihydropteroate (
CHEBI:17839
)
Incoming
2-hydroxy-7,8-dihydropteroic acid (
CHEBI:138237
)
has functional parent
7,8-dihydropteroic acid (
CHEBI:4581
)
7,8-dihydropteroate (
CHEBI:17839
)
is conjugate base of
7,8-dihydropteroic acid (
CHEBI:4581
)
IUPAC Name
4-{[(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}benzoic acid
Synonyms
Sources
4-(((2-amino-1,4,7,8-tetrahydro-4-oxo-6-pteridinyl)methyl)amino)benzoic acid
ChemIDplus
7,8-Dihydropteroate
KEGG COMPOUND
Dihydropteroate
KEGG COMPOUND
Dihydropteroinsäure
ChEBI
Manual Xrefs
Databases
C00007228
KNApSAcK
C00921
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
1226443
Reaxys Registry Number
Reaxys
1226443
Beilstein Registry Number
Beilstein
2134-76-1
CAS Registry Number
ChemIDplus
Last Modified
17 August 2017