Metabolic Modeling Tutorial
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BioCyc websites down
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Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
BioCyc websites down
12/28 - 12/31
for maintenance.
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
BioCyc websites down
12/28 - 12/31
for maintenance.
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
BioCyc websites down
12/28 - 12/31
for maintenance.
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
BioCyc websites down
12/28 - 12/31
for maintenance.
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MetaCyc Compound: (2R,3Z)-phycocyanobilin

Superclasses: a macrocycle a porphyrin a phycobilin a phycocyanobilin

Chemical Formula: C33H36N4O6

Molecular Weight: 584.67 Daltons

Monoisotopic Molecular Weight: 586.2791349732 Daltons

SMILES: CC=C1(C(C)C(NC1=CC4(C(C)=C(CCC([O-])=O)C(=CC2(=C(CCC([O-])=O)C(C)=C(N2)C=C3(C(C)=C(CC)C(=O)N3)))N=4))=O)

InChI: InChI=1S/C33H38N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7,13-15,19,34H,8-12H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/p-2/b20-7-,26-13-,27-14-,29-15-/t19-/m1/s1

InChIKey: InChIKey=XAVVMXGLKJSJDU-NSNBCYBJSA-L

Unification Links: ChEBI:57437

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): 220.17213 Inferred by computational analysis [Latendresse13]

Reactions known to produce the compound:

phycocyanobilin biosynthesis :
(2R,3Z)-phycocyanobilin + 4 an oxidized ferredoxin ← biliverdin-IX-α + 4 a reduced ferredoxin + 4 H+

Credits:
Revised 20-Mar-2013 by Caspi R , SRI International


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 Sat Dec 20, 2014, biocyc12.