Difference between revisions of "CHC T00006291001 1"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-8618 CPD-8618] == * smiles: ** CC(C)CCCC([CH]4(C1(C)([CH](C2(=C(CC1)C3(C)([CH](CC2)C([CH]=O...")
 
(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...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-8618 CPD-8618] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PHENYLACETALDEHYDE PHENYLACETALDEHYDE] ==
 
* smiles:
 
* smiles:
−
** CC(C)CCCC([CH]4(C1(C)([CH](C2(=C(CC1)C3(C)([CH](CC2)C([CH]=O)C(O)CC3)))CC4)))C
+
** [CH](=O)CC1(=CC=CC=C1)
 
* inchi key:
 
* inchi key:
−
** InChIKey=MHYWFGFPMGLYBL-NUESBDPTSA-N
+
** InChIKey=DTUQWGWMVIHBKE-UHFFFAOYSA-N
 
* common name:
 
* common name:
−
** 4α-formyl-5α-cholesta-8-en-3β-ol
+
** phenylacetaldehyde
 
* molecular weight:
 
* molecular weight:
−
** 414.67    
+
** 120.151    
 
* Synonym(s):
 
* Synonym(s):
 +
** 2-phenylacetaldehyde
 +
** PAA
 +
** α-tolualdehyde
 +
** hyacinthin
 +
** phenylethanal
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN66-22]]
+
* [[RXN-7700]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN66-21]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[PHENDEHYD-RXN]]
 
== External links  ==
 
== External links  ==
 +
* CAS : 122-78-1
 +
* METABOLIGHTS : MTBLC16424
 +
* DRUGBANK : DB02178
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=44263320 44263320]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=998 998]
 +
* HMDB : HMDB06236
 +
* LIGAND-CPD:
 +
** [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=87054 87054]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16424 16424]
−
* HMDB : HMDB12169
+
* BIGG : pacald
−
{{#set: smiles=CC(C)CCCC([CH]4(C1(C)([CH](C2(=C(CC1)C3(C)([CH](CC2)C([CH]=O)C(O)CC3)))CC4)))C}}
+
{{#set: smiles=[CH](=O)CC1(=CC=CC=C1)}}
−
{{#set: inchi key=InChIKey=MHYWFGFPMGLYBL-NUESBDPTSA-N}}
+
{{#set: inchi key=InChIKey=DTUQWGWMVIHBKE-UHFFFAOYSA-N}}
−
{{#set: common name=4α-formyl-5α-cholesta-8-en-3β-ol}}
+
{{#set: common name=phenylacetaldehyde}}
−
{{#set: molecular weight=414.67   }}
+
{{#set: molecular weight=120.151   }}
−
{{#set: consumed by=RXN66-22}}
+
{{#set: common name=2-phenylacetaldehyde|PAA|α-tolualdehyde|hyacinthin|phenylethanal}}
−
{{#set: produced by=RXN66-21}}
+
{{#set: consumed by=RXN-7700}}
 +
{{#set: consumed or produced by=PHENDEHYD-RXN}}

Revision as of 12:20, 18 January 2018

Metabolite PHENYLACETALDEHYDE

  • smiles:
    • [CH](=O)CC1(=CC=CC=C1)
  • inchi key:
    • InChIKey=DTUQWGWMVIHBKE-UHFFFAOYSA-N
  • common name:
    • phenylacetaldehyde
  • 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
  • METABOLIGHTS : MTBLC16424
  • DRUGBANK : DB02178
  • PUBCHEM:
  • HMDB : HMDB06236
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • BIGG : pacald
"CH](=O)CC1(=CC=CC=C1)" cannot be used as a page name in this wiki.




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