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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Summary
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Flux balance (FBA)
Groups of coupled reactions (GCR)
Blocked reactions (BLO)
Reaction knockout (RKO)
Gene/peptide knockout (PKO)
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A short tutorial
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desoxyhemigossypol
Properties
Image
Occurences in reactions
MNX_ID
MNXM8535
#reac
in my sandbox
0
in MNXref (generic)
3
in models (compartimentalized)
0
formula
C
15
H
16
O
3
charge
0
mass
244.10994
reference
metacycM:CPD-9524
InChIKey
UACUHHDLYFQIDS-UHFFFAOYSA-N
InChI
InChI=1S/C15H16O3/c1-7(2)12-9-4-8(3)5-11-13(9)10(6-18-11)14(16)15(12)17/h4-5,7,16-17H,6H2,1-3H3
SMILES
Cc1cc2c3c(c(O)c(O)c(C(C)C)c3c1)CO2
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
metacyc.compound:CPD-9524
metacycM:CPD-9524
seed.compound:cpd25717
seedM:cpd25717
desoxyhemigossypol
seedM:M_cpd25717
secondary/obsolete/fantasy identifier