Metabolic Modeling Tutorial
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Metabolic Modeling Tutorial
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ends Feb 21th, 2015
Metabolic Modeling Tutorial
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ends Feb 21th, 2015
Metabolic Modeling Tutorial
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ends Feb 21th, 2015
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MetaCyc Compound Class: a chlorin

Superclasses: a macrocycle

Summary:
A chlorin is a large heterocyclic aromatic ring consisting of 3 pyrroles and one reduced pyrrole, coupled through 4 methine linkages. Unlike a porphyrin, a chlorin is largely aromatic, but not aromatic through the entire circumference of the ring.

Chlorophylls are Mg-containing chlorin derivatives.

Chemical Formula: C20H16N4

Child Classes: a bacteriochlorin (9) , a chlorophyll (6) , a chlorophyllide (10) , a pheophytin (6)

Instances:
pheophorbide a ,
pheophorbide b ,
pyropheophorbide a

Monoisotopic Molecular Weight: 312.13749653440004 Daltons

SMILES: C1(=CC5(N=C1C=C2(NC(C=C2)=CC3(=NC(CC3)=CC4(NC(=CC=4)C=5)))))

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): 303.66794 Inferred by computational analysis [Latendresse13]


References

Latendresse13: Latendresse M. (2013). "Computing Gibbs Free Energy of Compounds and Reactions in MetaCyc."


Report Errors or Provide Feedback
Please cite the following article in publications resulting from the use of MetaCyc: Caspi et al, Nucleic Acids Research 42:D459-D471 2014
Page generated by SRI International Pathway Tools version 18.5 on Tue Mar 3, 2015, biocyc11.