Difference between revisions of "CPD-12231"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CYTOSINE CYTOSINE] == * smiles: ** C1(NC(=O)N=C(N)C=1) * inchi key: ** InChIKey=OPTASPLRGRRNAP-...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12231 CPD-12231] == * smiles: ** CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC...")
 
(One intermediate revision by the same user not shown)
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CYTOSINE CYTOSINE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12231 CPD-12231] ==
 
* smiles:
 
* smiles:
−
** C1(NC(=O)N=C(N)C=1)
+
** CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(OP([O-])(=O)OC4(C(NC(=O)C)C(OC(C)C(=O)NC(C)C(=O)NC(C(=O)[O-])CCC(=O)NC(CCCC([N+])C(=O)[O-])C(NC(C)C(=O)NC(C)C([O-])=O)=O)C(OC3(OC(CO)C(OC2(C(NC(=O)C)C(OC(C)C(=O)NC(C)C(=O)NC(C(=O)[O-])CCC(=O)NC(CCCC([N+])C(=O)[O-])C(NC(C)C(=O)NC(C)C([O-])=O)=O)C(OC1(OC(CO)C(O)C(O)C(NC(=O)C)1))C(CO)O2))C(O)C(NC(=O)C)3))C(CO)O4))([O-])=O)C)C)C)C)C)C)C
−
* inchi key:
+
−
** InChIKey=OPTASPLRGRRNAP-UHFFFAOYSA-N
+
 
* common name:
 
* common name:
−
** cytosine
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** a peptidoglycan dimer (meso-diaminopimelate containing)
 +
* inchi key:
 +
** InChIKey=YCEYFMFATQTSRQ-CLOLGSKGSA-H
 
* molecular weight:
 
* molecular weight:
−
** 111.103    
+
** 2907.201    
 
* Synonym(s):
 
* Synonym(s):
−
** 4-amino-2-oxo-1,2-dihydropyrimidine
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** [N-acetylglucosamine-N-acetylmuramoyl-L-alanyl-γ-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine]2 diphospho-undecaprenyl
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-11302]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-14065]]
 
−
* [[RXN0-361]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
−
* CAS : 71-30-7
 
−
* METABOLIGHTS : MTBLC16040
 
 
* PUBCHEM:
 
* PUBCHEM:
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=597 597]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90657721 90657721]
−
* HMDB : HMDB00630
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{{#set: smiles=CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(OP([O-])(=O)OC4(C(NC(=O)C)C(OC(C)C(=O)NC(C)C(=O)NC(C(=O)[O-])CCC(=O)NC(CCCC([N+])C(=O)[O-])C(NC(C)C(=O)NC(C)C([O-])=O)=O)C(OC3(OC(CO)C(OC2(C(NC(=O)C)C(OC(C)C(=O)NC(C)C(=O)NC(C(=O)[O-])CCC(=O)NC(CCCC([N+])C(=O)[O-])C(NC(C)C(=O)NC(C)C([O-])=O)=O)C(OC1(OC(CO)C(O)C(O)C(NC(=O)C)1))C(CO)O2))C(O)C(NC(=O)C)3))C(CO)O4))([O-])=O)C)C)C)C)C)C)C}}
−
* LIGAND-CPD:
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{{#set: common name=a peptidoglycan dimer (meso-diaminopimelate containing)}}
−
** [http://www.genome.jp/dbget-bin/www_bget?C00380 C00380]
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{{#set: inchi key=InChIKey=YCEYFMFATQTSRQ-CLOLGSKGSA-H}}
−
* CHEMSPIDER:
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{{#set: molecular weight=2907.201   }}
−
** [http://www.chemspider.com/Chemical-Structure.577.html 577]
+
{{#set: common name=[N-acetylglucosamine-N-acetylmuramoyl-L-alanyl-γ-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine]2 diphospho-undecaprenyl}}
−
* CHEBI:
+
{{#set: consumed by=RXN-11302}}
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16040 16040]
+
−
* BIGG : csn
+
−
{{#set: smiles=C1(NC(=O)N=C(N)C=1)}}
+
−
{{#set: inchi key=InChIKey=OPTASPLRGRRNAP-UHFFFAOYSA-N}}
+
−
{{#set: common name=cytosine}}
+
−
{{#set: molecular weight=111.103   }}
+
−
{{#set: common name=4-amino-2-oxo-1,2-dihydropyrimidine}}
+
−
{{#set: produced by=RXN-14065|RXN0-361}}
+

Latest revision as of 20:11, 21 March 2018

Metabolite CPD-12231

  • smiles:
    • CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(OP([O-])(=O)OC4(C(NC(=O)C)C(OC(C)C(=O)NC(C)C(=O)NC(C(=O)[O-])CCC(=O)NC(CCCC([N+])C(=O)[O-])C(NC(C)C(=O)NC(C)C([O-])=O)=O)C(OC3(OC(CO)C(OC2(C(NC(=O)C)C(OC(C)C(=O)NC(C)C(=O)NC(C(=O)[O-])CCC(=O)NC(CCCC([N+])C(=O)[O-])C(NC(C)C(=O)NC(C)C([O-])=O)=O)C(OC1(OC(CO)C(O)C(O)C(NC(=O)C)1))C(CO)O2))C(O)C(NC(=O)C)3))C(CO)O4))([O-])=O)C)C)C)C)C)C)C
  • common name:
    • a peptidoglycan dimer (meso-diaminopimelate containing)
  • inchi key:
    • InChIKey=YCEYFMFATQTSRQ-CLOLGSKGSA-H
  • molecular weight:
    • 2907.201
  • Synonym(s):
    • [N-acetylglucosamine-N-acetylmuramoyl-L-alanyl-γ-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine]2 diphospho-undecaprenyl

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(OP([O-])(=O)OC4(C(NC(=O)C)C(OC(C)C(=O)NC(C)C(=O)NC(C(=O)[O-])CCC(=O)NC(CCCC([N+])C(=O)[O-])C(NC(C)C(=O)NC(C)C([O-])=O)=O)C(OC3(OC(CO)C(OC2(C(NC(=O)C)C(OC(C)C(=O)NC(C)C(=O)NC(C(=O)[O-])CCC(=O)NC(CCCC([N+])C(=O)[O-])C(NC(C)C(=O)NC(C)C([O-])=O)=O)C(OC1(OC(CO)C(O)C(O)C(NC(=O)C)1))C(CO)O2))C(O)C(NC(=O)C)3))C(CO)O4))([O-])=O)C)C)C)C)C)C)C" cannot be used as a page name in this wiki.


"N-acetylglucosamine-N-acetylmuramoyl-L-alanyl-γ-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine]2 diphospho-undecaprenyl" cannot be used as a page name in this wiki.
Retrieved from "http://gem-aureme.irisa.fr/tisogem/index.php?title=CPD-12231&oldid=46722"