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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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Carbaethopendecine bromide
Properties
Image
Occurences in reactions
MNX_ID
MNXM45485
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
formula
C
21
H
44
BrNO
2
charge
0
mass
421.25554
reference
keggD:D07609
InChIKey
FXQJFHYFOGHZTB-UHFFFAOYSA-M
InChI
InChI=1S/C21H44NO2.BrH/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20(22(3,4)5)21(23)24-7-2;/h20H,6-19H2,1-5H3;1H/q+1;/p-1
SMILES
CCCCCCCCCCCCCCC(C(=O)OCC)[N+](C)(C)C.[Br-]
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
kegg.drug:D07609
keggD:D07609
Carbaethopendecine bromide
Septonex (TN)
keggD:M_D07609
secondary/obsolete/fantasy identifier