Difference between revisions of "Cerotoyl-ACPs"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=HIS HIS] == * smiles: ** C1(NC=NC=1CC(C(=O)[O-])[N+]) * inchi key: ** InChIKey=HNDVDQJCIGZPNO-Y...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=BETAINE BETAINE] == * smiles: ** C[N+](C)(CC([O-])=O)C * inchi key: ** InChIKey=KWIUHFFTVRNATP-...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=HIS HIS] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=BETAINE BETAINE] ==
 
* smiles:
 
* smiles:
** C1(NC=NC=1CC(C(=O)[O-])[N+])
+
** C[N+](C)(CC([O-])=O)C
 
* inchi key:
 
* inchi key:
** InChIKey=HNDVDQJCIGZPNO-YFKPBYRVSA-N
+
** InChIKey=KWIUHFFTVRNATP-UHFFFAOYSA-N
 
* common name:
 
* common name:
** L-histidine
+
** glycine betaine
 
* molecular weight:
 
* molecular weight:
** 155.156    
+
** 117.147    
 
* Synonym(s):
 
* Synonym(s):
** glyoxaline-5-alanine
+
** oxyneurine
** α-amino-4-imidazoleproprionic acid
+
** lycine
** (S)-α-amino-1H-imidazole-4-propanoic acid
+
** acidin-pepsin
** H
+
** betaine
** histidine
+
** trimethylammonioacetate
** his
+
** N,N,N-trimethylglycine
** L-his
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[biomass_rxn]]
 
* [[HISTIDINE-AMMONIA-LYASE-RXN]]
 
* [[HISTIDINE-DECARBOXYLASE-RXN]]
 
* [[HISTIDINE--TRNA-LIGASE-RXN]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-8001]]
+
* [[RXN-13406]]
* [[HISTALDEHYD-RXN]]
+
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[BADH-RXN]]
 
== External links  ==
 
== External links  ==
* CAS : 71-00-1
+
* CAS : 107-43-7
* BIGG : 33985
+
* METABOLIGHTS : MTBLC17750
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6971009 6971009]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=247 247]
* HMDB : HMDB00177
+
* HMDB : HMDB00043
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C00135 C00135]
+
** [http://www.genome.jp/dbget-bin/www_bget?C00719 C00719]
 +
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.242.html 242]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57595 57595]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17750 17750]
* METABOLIGHTS : MTBLC57595
+
* BIGG : 35786
{{#set: smiles=C1(NC=NC=1CC(C(=O)[O-])[N+])}}
+
* BIGG : glyb
{{#set: inchi key=InChIKey=HNDVDQJCIGZPNO-YFKPBYRVSA-N}}
+
{{#set: smiles=C[N+](C)(CC([O-])=O)C}}
{{#set: common name=L-histidine}}
+
{{#set: inchi key=InChIKey=KWIUHFFTVRNATP-UHFFFAOYSA-N}}
{{#set: molecular weight=155.156   }}
+
{{#set: common name=glycine betaine}}
{{#set: common name=glyoxaline-5-alanine|α-amino-4-imidazoleproprionic acid|(S)-α-amino-1H-imidazole-4-propanoic acid|H|histidine|his|L-his}}
+
{{#set: molecular weight=117.147   }}
{{#set: consumed by=biomass_rxn|HISTIDINE-AMMONIA-LYASE-RXN|HISTIDINE-DECARBOXYLASE-RXN|HISTIDINE--TRNA-LIGASE-RXN}}
+
{{#set: common name=oxyneurine|lycine|acidin-pepsin|betaine|trimethylammonioacetate|N,N,N-trimethylglycine}}
{{#set: produced by=RXN-8001|HISTALDEHYD-RXN}}
+
{{#set: produced by=RXN-13406}}
 +
{{#set: reversible reaction associated=BADH-RXN}}

Revision as of 14:58, 21 March 2018

Metabolite BETAINE

  • smiles:
    • C[N+](C)(CC([O-])=O)C
  • inchi key:
    • InChIKey=KWIUHFFTVRNATP-UHFFFAOYSA-N
  • common name:
    • glycine betaine
  • molecular weight:
    • 117.147
  • Synonym(s):
    • oxyneurine
    • lycine
    • acidin-pepsin
    • betaine
    • trimethylammonioacetate
    • N,N,N-trimethylglycine

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 107-43-7
  • METABOLIGHTS : MTBLC17750
  • PUBCHEM:
  • HMDB : HMDB00043
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • BIGG : 35786
  • BIGG : glyb
"C[N+](C)(CC([O-])=O)C" cannot be used as a page name in this wiki.