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iron*
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InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
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ChEBI
> Main
CHEBI:3258 - CB3717
Main
ChEBI Ontology
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ChEBI Name
CB3717
ChEBI ID
CHEBI:3258
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Molfile
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SDF
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Formula
C24H23N5O6
Net Charge
0
Average Mass
477.470
Monoisotopic Mass
477.16483
InChI
InChI=1S/C24H23N5O6/c1-
2-
11-
29(13-
14-
3-
8-
18-
17(12-
14)
22(33)
28-
24(25)
27-
18)
16-
6-
4-
15(5-
7-
16)
21(32)
26-
19(23(34)
35)
9-
10-
20(30)
31/h1,3-
8,12,19H,9-
11,13H2,(H,26,32)
(H,30,31)
(H,34,35)
(H3,25,27,28,33)
/t19-
/m0/s1
InChIKey
LTKHPMDRMUCUEB-IBGZPJMESA-N
SMILES
Nc1nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=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
CB3717 (
CHEBI:3258
)
is a
N
-acyl-
L
-glutamic acid (
CHEBI:21650
)
Synonym
Source
CB3717
KEGG COMPOUND
Manual Xrefs
Databases
C11737
KEGG COMPOUND
CB3
PDBeChem
View more database links
Last Modified
03 December 2014