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iron*
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InChI=1S/CH4O/c1-2/h2H,1H3
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caffeine
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ChEBI
> Main
CHEBI:125161 - LSM-36626
Main
ChEBI Ontology
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ChEBI Name
LSM-36626
ChEBI ID
CHEBI:125161
Stars
This entity has been manually annotated by a third party.
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Formula
C24H34N2O6
Net Charge
0
Average Mass
446.537
Monoisotopic Mass
446.24169
InChI
InChI=1S/C24H34N2O6/c1-
15-
9-
5-
6-
10-
16-
17(22(30)
31-
15)
18-
20(28)
25(12-
8-
14-
27)
19-
21(29)
26(23(2,3)
4)
13-
7-
11-
24(18,19)
32-
16/h6-
7,10-
11,15-
19,27H,5,8-
9,12-
14H2,1-
4H3/t15?,16-
,17?,18+,19-
,24?/m1/s1
InChIKey
HEHTZOHUEZAKJK-IMULDDGDSA-N
SMILES
CC1CCC=C[C@@H]2C([C@H]3C(=O)N([C@H]4C3(O2)C=CCN(C4=O)C(C)(C)C)CCCO)C(=O)O1
ChEBI Ontology
Outgoing
LSM-36626 (
CHEBI:125161
)
has functional parent
α-amino acid (
CHEBI:33704
)
LSM-36626 (
CHEBI:125161
)
is a
organonitrogen compound (
CHEBI:35352
)
LSM-36626 (
CHEBI:125161
)
is a
organooxygen compound (
CHEBI:36963
)
Manual Xref
Database
LSM-36626
LINCS
View more database links