Difference between revisions of "CPD-12259"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=TYRAMINE TYRAMINE] == * smiles: ** C1(C=C(O)C=CC(CC[N+])=1) * inchi key: ** InChIKey=DZGWFCGJZK...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12259 CPD-12259] == * smiles: ** CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(C)=CC...")
 
(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=TYRAMINE TYRAMINE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12259 CPD-12259] ==
 
* smiles:
 
* smiles:
−
** C1(C=C(O)C=CC(CC[N+])=1)
+
** CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCOP([O-])(=O)OP([O-])(=O)OC4(OC(CO)C(OC3(OC(CO)C(OC2(OC(CO)C(OC1(OC(CO)C(O)C(O)C(NC(=O)C)1))C(OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCCNC(CNC(CNC(CNC(CNC(C[N+])=O)=O)=O)=O)=O)C(NC(C)C(NC(C(=O)[O-])C)=O)=O)C(=O)N)C(NC(C)=O)2))C(O)C(NC(=O)C)3))C(OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCCNC(CNC(CNC(CNC(CNC(C[N+])=O)=O)=O)=O)=O)C(NC(C)C(NC(C(=O)[O-])C)=O)=O)C(=O)N)C(NC(C)=O)4))C)C)C)C)C)C
−
* inchi key:
+
−
** InChIKey=DZGWFCGJZKJUFP-UHFFFAOYSA-O
+
 
* common name:
 
* common name:
−
** tyramine
+
** a peptidoglycan dimer (S. aureus)
 +
* inchi key:
 +
** InChIKey=YDLQGHNIONNLSM-SHGYSNKBSA-L
 
* molecular weight:
 
* molecular weight:
−
** 138.189    
+
** 3391.761    
 
* Synonym(s):
 
* Synonym(s):
−
** tyrosamine
+
** [N-acetylglucosamine-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-(Gly5)-D-alanyl-D-alanine]2 diphospho-undecaprenyl
−
** 4-(2-aminoethyl)phenol
+
−
** p-hydroxyphenethylamine
+
−
** 2-(p-hydroxyphenyl)ethylamine
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-5821]]
+
* [[RXN-11065]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[TYROSINE-DECARBOXYLASE-RXN]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
−
* CAS : 51-67-2
 
−
* METABOLIGHTS : MTBLC327995
 
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5249538 5249538]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90659087 90659087]
−
* HMDB : HMDB00306
+
{{#set: smiles=CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCOP([O-])(=O)OP([O-])(=O)OC4(OC(CO)C(OC3(OC(CO)C(OC2(OC(CO)C(OC1(OC(CO)C(O)C(O)C(NC(=O)C)1))C(OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCCNC(CNC(CNC(CNC(CNC(C[N+])=O)=O)=O)=O)=O)C(NC(C)C(NC(C(=O)[O-])C)=O)=O)C(=O)N)C(NC(C)=O)2))C(O)C(NC(=O)C)3))C(OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCCNC(CNC(CNC(CNC(CNC(C[N+])=O)=O)=O)=O)=O)C(NC(C)C(NC(C(=O)[O-])C)=O)=O)C(=O)N)C(NC(C)=O)4))C)C)C)C)C)C}}
−
* LIGAND-CPD:
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{{#set: common name=a peptidoglycan dimer (S. aureus)}}
−
** [http://www.genome.jp/dbget-bin/www_bget?C00483 C00483]
+
{{#set: inchi key=InChIKey=YDLQGHNIONNLSM-SHGYSNKBSA-L}}
−
* CHEMSPIDER:
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{{#set: molecular weight=3391.761   }}
−
** [http://www.chemspider.com/Chemical-Structure.4416910.html 4416910]
+
{{#set: common name=[N-acetylglucosamine-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-(Gly5)-D-alanyl-D-alanine]2 diphospho-undecaprenyl}}
−
* CHEBI:
+
{{#set: consumed by=RXN-11065}}
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=327995 327995]
+
−
* BIGG : tym
+
−
{{#set: smiles=C1(C=C(O)C=CC(CC[N+])=1)}}
+
−
{{#set: inchi key=InChIKey=DZGWFCGJZKJUFP-UHFFFAOYSA-O}}
+
−
{{#set: common name=tyramine}}
+
−
{{#set: molecular weight=138.189   }}
+
−
{{#set: common name=tyrosamine|4-(2-aminoethyl)phenol|p-hydroxyphenethylamine|2-(p-hydroxyphenyl)ethylamine}}
+
−
{{#set: consumed by=RXN-5821}}
+
−
{{#set: produced by=TYROSINE-DECARBOXYLASE-RXN}}
+

Latest revision as of 21:07, 21 March 2018

Metabolite CPD-12259

  • smiles:
    • CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCOP([O-])(=O)OP([O-])(=O)OC4(OC(CO)C(OC3(OC(CO)C(OC2(OC(CO)C(OC1(OC(CO)C(O)C(O)C(NC(=O)C)1))C(OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCCNC(CNC(CNC(CNC(CNC(C[N+])=O)=O)=O)=O)=O)C(NC(C)C(NC(C(=O)[O-])C)=O)=O)C(=O)N)C(NC(C)=O)2))C(O)C(NC(=O)C)3))C(OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCCNC(CNC(CNC(CNC(CNC(C[N+])=O)=O)=O)=O)=O)C(NC(C)C(NC(C(=O)[O-])C)=O)=O)C(=O)N)C(NC(C)=O)4))C)C)C)C)C)C
  • common name:
    • a peptidoglycan dimer (S. aureus)
  • inchi key:
    • InChIKey=YDLQGHNIONNLSM-SHGYSNKBSA-L
  • molecular weight:
    • 3391.761
  • Synonym(s):
    • [N-acetylglucosamine-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-(Gly5)-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(C)=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCOP([O-])(=O)OP([O-])(=O)OC4(OC(CO)C(OC3(OC(CO)C(OC2(OC(CO)C(OC1(OC(CO)C(O)C(O)C(NC(=O)C)1))C(OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCCNC(CNC(CNC(CNC(CNC(C[N+])=O)=O)=O)=O)=O)C(NC(C)C(NC(C(=O)[O-])C)=O)=O)C(=O)N)C(NC(C)=O)2))C(O)C(NC(=O)C)3))C(OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCCNC(CNC(CNC(CNC(CNC(C[N+])=O)=O)=O)=O)=O)C(NC(C)C(NC(C(=O)[O-])C)=O)=O)C(=O)N)C(NC(C)=O)4))C)C)C)C)C)C" cannot be used as a page name in this wiki.


"N-acetylglucosamine-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-(Gly5)-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-12259&oldid=46057"