MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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The Swiss Initiative in Systems Biology
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Calystegine C1
Properties
Image
Occurences in reactions
MNX_ID
MNXM120101
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
formula
C
7
H
13
NO
5
charge
0
mass
191.07937
reference
chebi:165180
InChIKey
GGOJRYWHKVYFQK-UHFFFAOYSA-N
InChI
InChI=1S/C7H13NO5/c9-2-1-7(13)6(12)5(11)4(10)3(2)8-7/h2-6,8-13H,1H2
SMILES
OC1CC2(O)NC1C(O)C(O)C2O
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
hmdb:HMDB0031346
CHEBI:165180
chebi:165180
Calystegine C1
8-azabicyclo[3.2.1]octane-1,2,3,4,6-pentol
hmdb:HMDB31346
secondary/obsolete/fantasy identifier