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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:41030 - (3
S
)-3,7-diaminoheptanoic acid
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ChEBI Name
(3
S
)-3,7-diaminoheptanoic acid
ChEBI ID
CHEBI:41030
ChEBI ASCII Name
(3S)-3,7-diaminoheptanoic acid
Definition
A diamino acid that is heptanoic acid substituted by amino groups at positions 3 and 7 respectively (the 3
S
stereoisomer).
Stars
This entity has been manually annotated by the ChEBI Team.
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Molfile
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Formula
C7H16N2O2
Net Charge
0
Average Mass
160.21410
Monoisotopic Mass
160.12118
InChI
InChI=1S/C7H16N2O2/c8-4-2-1-3-6(9)5-7(10)11/h6H,1-5,8-9H2,(H,10,11)/t6-/m0/s1
InChIKey
PJDINCOFOROBQW-LURJTMIESA-N
SMILES
NCCCC[C@H](N)CC(O)=O
Roles Classification
Chemical Role
(s):
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
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
(3
S
)-3,7-diaminoheptanoic acid (
CHEBI:41030
)
has functional parent
heptanoic acid (
CHEBI:45571
)
(3
S
)-3,7-diaminoheptanoic acid (
CHEBI:41030
)
is a
β-amino acid (
CHEBI:33706
)
(3
S
)-3,7-diaminoheptanoic acid (
CHEBI:41030
)
is a
diamino acid (
CHEBI:35987
)
IUPAC Name
(3
S
)-3,7-diaminoheptanoic acid
Synonym
Source
beta-Lysine
ChemIDplus
Manual Xref
Database
B3K
PDBeChem
View more database links
Registry Number
Type
Source
6288171
Reaxys Registry Number
Reaxys
Last Modified
12 May 2014