Difference between revisions of "PHENYLACETALDEHYDE"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=LEU LEU] == * smiles: ** CC(CC([N+])C([O-])=O)C * common name: ** L-leucine * inchi key: ** InC...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PHENYLACETALDEHYDE PHENYLACETALDEHYDE] == * smiles: ** [CH](=O)CC1(=CC=CC=C1) * common name: **...")
 
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=LEU LEU] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PHENYLACETALDEHYDE PHENYLACETALDEHYDE] ==
 
* smiles:
 
* smiles:
** CC(CC([N+])C([O-])=O)C
+
** [CH](=O)CC1(=CC=CC=C1)
 
* common name:
 
* common name:
** L-leucine
+
** phenylacetaldehyde
 
* inchi key:
 
* inchi key:
** InChIKey=ROHFNLRQFUQHCH-YFKPBYRVSA-N
+
** InChIKey=DTUQWGWMVIHBKE-UHFFFAOYSA-N
 
* molecular weight:
 
* molecular weight:
** 131.174    
+
** 120.151    
 
* Synonym(s):
 
* Synonym(s):
** (2S)-α-2-amino-4-methylvaleric acid
+
** 2-phenylacetaldehyde
** L
+
** PAA
** leu
+
** α-tolualdehyde
** leucine
+
** hyacinthin
** 2-amino-4-methylvaleric acid
+
** phenylethanal
** (2S)-α-leucine
+
** L-leu
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[LEUCINE--TRNA-LIGASE-RXN]]
+
* [[RXN-7700]]
* [[RME144]]
+
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[AMINEPHEN-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[BRANCHED-CHAINAMINOTRANSFERLEU-RXN]]
+
* [[PHENDEHYD-RXN]]
 
== External links  ==
 
== External links  ==
 +
* CAS : 122-78-1
 +
* BIGG : pacald
 +
* DRUGBANK : DB02178
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=7045798 7045798]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=998 998]
* CAS : 61-90-5
+
* HMDB : HMDB06236
* BIGG : leu__L
+
* NCI:
+
** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=46709 46709]
+
* HMDB : HMDB00687
+
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C00123 C00123]
+
** [http://www.genome.jp/dbget-bin/www_bget?C00601 C00601]
 +
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.13876539.html 13876539]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57427 57427]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16424 16424]
* METABOLIGHTS : MTBLC57427
+
* METABOLIGHTS : MTBLC16424
{{#set: smiles=CC(CC([N+])C([O-])=O)C}}
+
{{#set: smiles=[CH](=O)CC1(=CC=CC=C1)}}
{{#set: common name=L-leucine}}
+
{{#set: common name=phenylacetaldehyde}}
{{#set: inchi key=InChIKey=ROHFNLRQFUQHCH-YFKPBYRVSA-N}}
+
{{#set: inchi key=InChIKey=DTUQWGWMVIHBKE-UHFFFAOYSA-N}}
{{#set: molecular weight=131.174   }}
+
{{#set: molecular weight=120.151   }}
{{#set: common name=(2S)-α-2-amino-4-methylvaleric acid|L|leu|leucine|2-amino-4-methylvaleric acid|(2S)-α-leucine|L-leu}}
+
{{#set: common name=2-phenylacetaldehyde|PAA|α-tolualdehyde|hyacinthin|phenylethanal}}
{{#set: consumed by=LEUCINE--TRNA-LIGASE-RXN|RME144}}
+
{{#set: consumed by=RXN-7700}}
{{#set: reversible reaction associated=BRANCHED-CHAINAMINOTRANSFERLEU-RXN}}
+
{{#set: produced by=AMINEPHEN-RXN}}
 +
{{#set: reversible reaction associated=PHENDEHYD-RXN}}

Latest revision as of 20:46, 21 March 2018

Metabolite PHENYLACETALDEHYDE

  • smiles:
    • [CH](=O)CC1(=CC=CC=C1)
  • common name:
    • phenylacetaldehyde
  • inchi key:
    • InChIKey=DTUQWGWMVIHBKE-UHFFFAOYSA-N
  • molecular weight:
    • 120.151
  • Synonym(s):
    • 2-phenylacetaldehyde
    • PAA
    • α-tolualdehyde
    • hyacinthin
    • phenylethanal

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 122-78-1
  • BIGG : pacald
  • DRUGBANK : DB02178
  • PUBCHEM:
  • HMDB : HMDB06236
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC16424
"CH](=O)CC1(=CC=CC=C1)" cannot be used as a page name in this wiki.