Difference between revisions of "R344-RXN"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=THREO-DS-ISO-CITRATE THREO-DS-ISO-CITRATE] == * smiles: ** C(=O)(C(CC([O-])=O)C(O)C([O-])=O)[O-...")
 
(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(=...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=THREO-DS-ISO-CITRATE THREO-DS-ISO-CITRATE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=C5 C5] ==
 
* smiles:
 
* smiles:
−
** C(=O)(C(CC([O-])=O)C(O)C([O-])=O)[O-]
+
** 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
 
* inchi key:
 
* inchi key:
−
** InChIKey=ODBLHEXUDAPZAU-ZAFYKAAXSA-K
+
** InChIKey=PNWZQTONLRRPST-KLDRQJOASA-J
 
* common name:
 
* common name:
−
** D-threo-isocitrate
+
** undecaprenyldiphospho-N-acetylmuramoyl-L-alanyl-γ-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine
 
* molecular weight:
 
* molecular weight:
−
** 189.101    
+
** 1713.036    
 
* Synonym(s):
 
* Synonym(s):
−
** D-threo-isocitrate
+
** N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-2,6-diaminoheptanedioate-D-alanyl-D-alanine-diphosphoundecaprenol
−
** (1R, 2S)-1-hydroxypropane-1,2,3-tricarboxylate
+
** a peptidoglycan with cleaved N-acetyl-glucosamine
−
** D-threo-isocitric acid
+
** lipid intermediate I
−
** isocitric acid
+
** undecaprenyl-pyrophosphoryl-MurNAc-pentapeptide
−
** isocitrate
+
** lipid I
−
** threo-Ds-isocitrate
+
−
** I-CIT
+
−
** D-isocitrate
+
  
 
== 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]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[ACONITATEHYDR-RXN]]
 
−
* [[ISOCITDEH-RXN]]
 
−
* [[RXN-14047]]
 
−
* [[ISOCIT-CLEAV-RXN]]
 
−
* [[RXN-9951]]
 
 
== External links  ==
 
== External links  ==
−
* CAS : 320-77-4
 
−
* CAS : 30810-51-6
 
−
* METABOLIGHTS : MTBLC15562
 
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5459771 5459771]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=52940090 52940090]
−
* KNAPSACK : C00001188
+
−
* HMDB : HMDB01874
+
−
* LIGAND-CPD:
+
−
** [http://www.genome.jp/dbget-bin/www_bget?C00451 C00451]
+
−
* CHEMSPIDER:
+
−
** [http://www.chemspider.com/Chemical-Structure.4573553.html 4573553]
+
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15562 15562]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=61387 61387]
−
* BIGG : icit
+
* BIGG : uagmda
−
{{#set: smiles=C(=O)(C(CC([O-])=O)C(O)C([O-])=O)[O-]}}
+
* LIGAND-CPD:
−
{{#set: inchi key=InChIKey=ODBLHEXUDAPZAU-ZAFYKAAXSA-K}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C05897 C05897]
−
{{#set: common name=D-threo-isocitrate}}
+
{{#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: molecular weight=189.101   }}
+
{{#set: inchi key=InChIKey=PNWZQTONLRRPST-KLDRQJOASA-J}}
−
{{#set: common name=D-threo-isocitrate|(1R, 2S)-1-hydroxypropane-1,2,3-tricarboxylate|D-threo-isocitric acid|isocitric acid|isocitrate|threo-Ds-isocitrate|I-CIT|D-isocitrate}}
+
{{#set: common name=undecaprenyldiphospho-N-acetylmuramoyl-L-alanyl-γ-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine}}
−
{{#set: consumed or produced by=ACONITATEHYDR-RXN|ISOCITDEH-RXN|RXN-14047|ISOCIT-CLEAV-RXN|RXN-9951}}
+
{{#set: molecular weight=1713.036   }}
 +
{{#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=PHOSNACMURPENTATRANS-RXN}}

Revision as of 18:23, 10 January 2018

Metabolite C5

  • 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
  • inchi key:
    • InChIKey=PNWZQTONLRRPST-KLDRQJOASA-J
  • common name:
    • undecaprenyldiphospho-N-acetylmuramoyl-L-alanyl-γ-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine
  • molecular weight:
    • 1713.036
  • Synonym(s):
    • 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

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)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" cannot be used as a page name in this wiki.



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