Difference between revisions of "CARBAMATE"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PHENYLACETALDEHYDE PHENYLACETALDEHYDE] == * smiles: ** [CH](=O)CC1(=CC=CC=C1) * inchi key: ** I...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CARBAMATE CARBAMATE] == * smiles: ** C(=O)([O-])N * inchi key: ** InChIKey=KXDHJXZQYSOELW-UHFFF...")
 
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PHENYLACETALDEHYDE PHENYLACETALDEHYDE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CARBAMATE CARBAMATE] ==
 
* smiles:
 
* smiles:
** [CH](=O)CC1(=CC=CC=C1)
+
** C(=O)([O-])N
 
* inchi key:
 
* inchi key:
** InChIKey=DTUQWGWMVIHBKE-UHFFFAOYSA-N
+
** InChIKey=KXDHJXZQYSOELW-UHFFFAOYSA-M
 
* common name:
 
* common name:
** phenylacetaldehyde
+
** carbamate
 
* molecular weight:
 
* molecular weight:
** 120.151    
+
** 60.032    
 
* Synonym(s):
 
* Synonym(s):
** 2-phenylacetaldehyde
+
** carbamic acid
** PAA
+
** aminoformic acid
** α-tolualdehyde
+
** hyacinthin
+
** phenylethanal
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-14196]]
 +
* [[RXN0-5222]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[AMINEPHEN-RXN]]
+
* [[RXN-16910]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[PHENDEHYD-RXN]]
 
 
== External links  ==
 
== External links  ==
* CAS : 122-78-1
 
* BIGG : 35469
 
* DRUGBANK : DB02178
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=998 998]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=276 276]
* HMDB : HMDB06236
+
* LIGAND-CPD:
+
** [http://www.genome.jp/dbget-bin/www_bget?C00601 C00601]
+
 
* CHEMSPIDER:
 
* CHEMSPIDER:
** [http://www.chemspider.com/Chemical-Structure.13876539.html 13876539]
+
** [http://www.chemspider.com/Chemical-Structure.270.html 270]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16424 16424]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=13941 13941]
* METABOLIGHTS : MTBLC16424
+
* LIGAND-CPD:
{{#set: smiles=[CH](=O)CC1(=CC=CC=C1)}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C01563 C01563]
{{#set: inchi key=InChIKey=DTUQWGWMVIHBKE-UHFFFAOYSA-N}}
+
* HMDB : HMDB03551
{{#set: common name=phenylacetaldehyde}}
+
{{#set: smiles=C(=O)([O-])N}}
{{#set: molecular weight=120.151   }}
+
{{#set: inchi key=InChIKey=KXDHJXZQYSOELW-UHFFFAOYSA-M}}
{{#set: common name=2-phenylacetaldehyde|PAA|α-tolualdehyde|hyacinthin|phenylethanal}}
+
{{#set: common name=carbamate}}
{{#set: produced by=AMINEPHEN-RXN}}
+
{{#set: molecular weight=60.032   }}
{{#set: reversible reaction associated=PHENDEHYD-RXN}}
+
{{#set: common name=carbamic acid|aminoformic acid}}
 +
{{#set: consumed by=RXN-14196|RXN0-5222}}
 +
{{#set: produced by=RXN-16910}}

Latest revision as of 19:27, 21 March 2018

Metabolite CARBAMATE

  • smiles:
    • C(=O)([O-])N
  • inchi key:
    • InChIKey=KXDHJXZQYSOELW-UHFFFAOYSA-M
  • common name:
    • carbamate
  • molecular weight:
    • 60.032
  • Synonym(s):
    • carbamic acid
    • aminoformic acid

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

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