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MetaCyc Compound: precorrin-3A

Superclasses: an organic heterocyclic compound an organonitrogen heterocyclic compound a polypyrrole cyclic polypyrrole a cyclic tetrapyrrole a corrinoid a precorrin

Summary:
The intermediates of the pathway between uroporphyrinogen-III and cobyrinate are termed precorrin-n, where n refers to the number of methyl groups that have been added to the uroporphyrinogen-III framework. They include precorrin-1, precorrin-2, precorrin-3A, precorrin-3B, precorrin-4, precorrin-5, precorrin-6A, precorrin-6B, precorrin-7 and precorrin-8x.

Chemical Formula: C43H43N4O16

Molecular Weight: 871.83 Daltons

Monoisotopic Molecular Weight: 878.3221815794 Daltons

SMILES: CC1(=C5([N+]C(=CC4(=NC(=CC3(NC(CC2(NC1=C(CC(=O)[O-])C(CCC(=O)[O-])=2))=C(CCC(=O)[O-])C(CC(=O)[O-])=3))C(CCC(=O)[O-])C(C)(CC(=O)[O-])4))C(CCC(=O)[O-])C(C)(CC(=O)[O-])5))

InChI: InChI=1S/C43H50N4O16/c1-19-40-23(13-37(58)59)21(5-9-33(50)51)27(46-40)14-26-20(4-8-32(48)49)22(12-36(56)57)28(44-26)15-29-24(6-10-34(52)53)42(2,17-38(60)61)31(45-29)16-30-25(7-11-35(54)55)43(3,18-39(62)63)41(19)47-30/h15-16,24-25,44,46-47H,4-14,17-18H2,1-3H3,(H,48,49)(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)/p-7/b29-15-,30-16-,41-19-/t24-,25-,42+,43+/m1/s1

InChIKey: InChIKey=AILJETHLKULYHE-IHDLTXBCSA-G

Unification Links: ChEBI:58561 , KEGG:C05772 , PubChem:25245613

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): -74.60272 Inferred by computational analysis [Latendresse13]

Reactions known to consume the compound:

cob(II)yrinate a,c-diamide biosynthesis II (late cobalt incorporation) :
precorrin-3A + NADH + oxygen + H+ → precorrin-3B + NAD+ + H2O

Reactions known to produce the compound:

cob(II)yrinate a,c-diamide biosynthesis II (late cobalt incorporation) :
precorrin-2 + S-adenosyl-L-methionine → S-adenosyl-L-homocysteine + precorrin-3A + H+

This compound has been characterized as a cofactor or prosthetic group of the following enzymes: corrinoid protein:5-methyltetrahydrosarcinapterin methyltransferase

Credits:
Revised 16-Oct-2012 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 Thu Nov 27, 2014, biocyc11.