Difference between revisions of "R344-RXN"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=C5 C5] == * smiles: ** CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-702 CPD-702] == * smiles: ** C(O)C1(C=CC(=CC=1)[N+]([O-])=O) * inchi key: ** InChIKey=JKTYG...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=C5 C5] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-702 CPD-702] ==
 
* smiles:
 
* smiles:
−
** CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(OP([O-])(=O)OC1(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(O)C(CO)O1))([O-])=O)C)C)C)C)C)C)C
+
** C(O)C1(C=CC(=CC=1)[N+]([O-])=O)
 
* inchi key:
 
* inchi key:
−
** InChIKey=PNWZQTONLRRPST-KLDRQJOASA-J
+
** InChIKey=JKTYGPATCNUWKN-UHFFFAOYSA-N
 
* common name:
 
* common name:
−
** undecaprenyldiphospho-N-acetylmuramoyl-L-alanyl-γ-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine
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** 4-nitrobenzyl alcohol
 
* molecular weight:
 
* molecular weight:
−
** 1713.036    
+
** 153.137    
 
* Synonym(s):
 
* Synonym(s):
−
** N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-2,6-diaminoheptanedioate-D-alanyl-D-alanine-diphosphoundecaprenol
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** 4NBA
−
** a peptidoglycan with cleaved N-acetyl-glucosamine
+
−
** lipid intermediate I
+
−
** undecaprenyl-pyrophosphoryl-MurNAc-pentapeptide
+
−
** lipid I
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[PHOSNACMURPENTATRANS-RXN]]
+
* [[RXN0-5141]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 +
* CAS : 619-73-8
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=52940090 52940090]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=69275 69275]
 +
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.13585105.html 13585105]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=61387 61387]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=41214 41214]
−
* BIGG : uagmda
+
* NCI:
−
* LIGAND-CPD:
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** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=5389 5389]
−
** [http://www.genome.jp/dbget-bin/www_bget?C05897 C05897]
+
{{#set: smiles=C(O)C1(C=CC(=CC=1)[N+]([O-])=O)}}
−
{{#set: smiles=CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(OP([O-])(=O)OC1(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(O)C(CO)O1))([O-])=O)C)C)C)C)C)C)C}}
+
{{#set: inchi key=InChIKey=JKTYGPATCNUWKN-UHFFFAOYSA-N}}
−
{{#set: inchi key=InChIKey=PNWZQTONLRRPST-KLDRQJOASA-J}}
+
{{#set: common name=4-nitrobenzyl alcohol}}
−
{{#set: common name=undecaprenyldiphospho-N-acetylmuramoyl-L-alanyl-γ-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine}}
+
{{#set: molecular weight=153.137   }}
−
{{#set: molecular weight=1713.036   }}
+
{{#set: common name=4NBA}}
−
{{#set: common name=N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-2,6-diaminoheptanedioate-D-alanyl-D-alanine-diphosphoundecaprenol|a peptidoglycan with cleaved N-acetyl-glucosamine|lipid intermediate I|undecaprenyl-pyrophosphoryl-MurNAc-pentapeptide|lipid I}}
+
{{#set: produced by=RXN0-5141}}
−
{{#set: produced by=PHOSNACMURPENTATRANS-RXN}}
+

Revision as of 20:00, 18 March 2018

Metabolite CPD-702

  • smiles:
    • C(O)C1(C=CC(=CC=1)[N+]([O-])=O)
  • inchi key:
    • InChIKey=JKTYGPATCNUWKN-UHFFFAOYSA-N
  • common name:
    • 4-nitrobenzyl alcohol
  • molecular weight:
    • 153.137
  • Synonym(s):
    • 4NBA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C(O)C1(C=CC(=CC=1)[N+]([O-])=O)" cannot be used as a page name in this wiki.



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