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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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pyridinium chlorochromate
Properties
Image
MNX_ID
MNXM1129634
reference
chebi:176795
formula
C
5
H
6
ClCrNO
3
global charge
0
mol weight
215.556
InChIKey
LEHBURLTIWGHEM-UHFFFAOYSA-N
InChI
InChI=1S/C5H5N.ClH.Cr.3O/c1-2-4-6-5-3-1;;;;;/h1-5H;1H;;;;/q;;+1;;;-1
SMILES
C1=CC=[NH+]C=C1.O=[Cr](=O)([O-])Cl
MNX internals
InChI (mnx)
InChI=1/C5H5N.ClH.Cr.3O/c1-2-4-6-5-3-1;;;;;/h1-5H;1H;;;;/q;;+1;;;-1
SMILES (mnx)
[CH:1]1=[CH:2][CH:4]=[N:6][CH:5]=[CH:3]1.[ClH:7].[Cr+:8].[O-:11].[O:10].[O:9]
Parent-child relations graph
Occurences in reactions
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
Similar chemical compounds in external resources
Identifier
Description
CHEBI:176795
chebi:176795
LEHBURLTIWGHEM-UHFFFAOYSA-N
pyridinium chlorochromate
PCC
pyridin-1-ium chlorido(trioxido)chromate
pyridinium chloro(trioxido)chromate