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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:6253 -
L
-indospicine
Main
ChEBI Ontology
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ChEBI Name
L
-indospicine
ChEBI ID
CHEBI:6253
ChEBI ASCII Name
L-indospicine
Definition
An α-amino acid that is 2,7-diaminoheptanoic acid substituted by a imino group at position 7 (the 2
S
stereoisomer).
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C7H15N3O2
Net Charge
0
Average Mass
173.21290
Monoisotopic Mass
173.11643
InChI
InChI=1S/C7H15N3O2/c8-5(7(11)12)3-1-2-4-6(9)10/h5H,1-4,8H2,(H3,9,10)(H,11,12)/t5-/m0/s1
InChIKey
SILQDLDAWPQMEL-YFKPBYRVSA-N
SMILES
N[C@@H](CCCCC(N)=N)C(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
)
Biological Role
(s):
hepatotoxic agent
A role played by a chemical compound exhibiting itself through the ability to induce damage to the liver in animals.
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
L
-indospicine (
CHEBI:6253
)
has role
hepatotoxic agent (
CHEBI:50908
)
L
-indospicine (
CHEBI:6253
)
has role
plant metabolite (
CHEBI:76924
)
L
-indospicine (
CHEBI:6253
)
is a
carboxamidine (
CHEBI:35359
)
L
-indospicine (
CHEBI:6253
)
is a
non-proteinogenic
L
-α-amino acid (
CHEBI:83822
)
IUPAC Name
(2
S
)-2,7-diamino-7-iminoheptanoic acid
Synonym
Source
Indospicine
KEGG COMPOUND
Manual Xrefs
Databases
C00001373
KNApSAcK
C08288
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
16377-00-7
CAS Registry Number
KEGG COMPOUND
16377-00-7
CAS Registry Number
ChemIDplus
5330230
Reaxys Registry Number
Reaxys
Citations
Types
Sources
11122512
PubMed citation
Europe PMC
21323657
PubMed citation
Europe PMC
3214366
PubMed citation
Europe PMC
5022273
PubMed citation
Europe PMC
5639150
PubMed citation
Europe PMC
Last Modified
26 March 2015