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Universal:cpgn_un

desferricoprogen

Default Component
cpgn_un:0
  • desferricoprogen
  • Charge: 0
  • Formula: C35H56N6O13
CHEBI:83125
  • desferricoprogen
  • Type: Small Molecule
  • InChiKey: AKLLFACZGZTMGS-FCRFISLRSA-N
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 768.8515[0], 768.0[1]
  • SMILES: [H][C@@]1(CCCN(O)C(=O)/C=C(\C)CCO)NC(=O)[C@]([H])(CCCN(O)C(=O)/C=C(\C)CCOC(=O)[C@H](CCCN(O)C(=O)/C=C(\C)CCO)NC(C)=O)NC1=O[0], CC(=O)NC(CCN(O)C(=O)/C=C(\C)CCO)CC(=O)OCC/C(C)=C/C(=O)N(O)CCCC1NC(=O)C(CCCN(O)C(=O)/C=C(/C)CCO)NC1=O[1]
  • Names: (3E)-5-(hydroxy{3-[(2S,5S)-5-(3-{hydroxy[(2E)-5-hydroxy-3-methylpent-2-enoyl]amino}propyl)-3,6-dioxopiperazin-2-yl]propyl}amino)-3-methyl-5-oxopent-3-en-1-yl N(2)-acetyl-N(5)-hydroxy-N(5)-[(2E)-5-hydroxy-3-methylpent-2-enoyl]-L-ornithinate[0], coprogen unloaded (no Fe(III))[1]
Data Sources: [0] CHEBI:83125 via ChEBI, [1] cpd15438 via ModelSEED
Linkouts
Data Sources: [0] CHEBI:83125 via ChEBI, [1] cpd15438 via ModelSEED
Alternative Component
cpgn_un:-3
  • desferricoprogen(3-)
  • Charge: -3
  • Formula: C35H53N6O13
CHEBI:83127
  • desferricoprogen(3-)
  • Type: Small Molecule
  • InChiKey: RZRCLBALGCDKCQ-FCRFISLRSA-N
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 765.8294[0]
  • SMILES: [H][C@@]1(CCCN([O-])C(=O)/C=C(\C)CCO)NC(=O)[C@]([H])(CCCN([O-])C(=O)/C=C(\C)CCOC(=O)[C@H](CCCN([O-])C(=O)/C=C(\C)CCO)NC(C)=O)NC1=O[0]
  • Names: (3E)-5-[{3-[(2S,5S)-5-(3-{[(2E)-5-hydroxy-3-methylpent-2-enoyl](oxido)amino}propyl)-3,6-dioxopiperazin-2-yl]propyl}(oxido)amino]-3-methyl-5-oxopent-3-en-1-yl N(2)-acetyl-N(5)-[(2E)-5-hydroxy-3-methylpent-2-enoyl]-N(5)-oxido-L-ornithinate[0]
Data Sources: [0] CHEBI:83127 via ChEBI
Linkouts
Data Sources: [0] CHEBI:83127 via ChEBI
Metabolite in Models
  BiGG ID Compartment Charge Model Organism
  BiGG ID Compartment Charge Model Organism