Difference between revisions of "Tiso gene 13589"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=LUTEOLIN-7-O-BETA-D-GLUCURONOSYL-1-2 LUTEOLIN-7-O-BETA-D-GLUCURONOSYL-1-2] == * smiles: ** C(C6...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=HYDRPHENYLAC-CPD HYDRPHENYLAC-CPD] == * smiles: ** [CH](=O)CC1(C=CC(O)=CC=1) * inchi key: ** In...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=LUTEOLIN-7-O-BETA-D-GLUCURONOSYL-1-2 LUTEOLIN-7-O-BETA-D-GLUCURONOSYL-1-2] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=HYDRPHENYLAC-CPD HYDRPHENYLAC-CPD] ==
 
* smiles:
 
* smiles:
−
** C(C6(OC(OC5(=CC=C(C1(OC4(C(C(C=1)=O)=C(C=C(OC2(C(C(C(C(C([O-])=O)O2)O)O)OC3(OC(C(C(C3O)O)O)C([O-])=O)))C=4)O)))C=C5O))C(C(C6O)O)O))(=O)[O-]
+
** [CH](=O)CC1(C=CC(O)=CC=1)
 
* inchi key:
 
* inchi key:
−
** InChIKey=AEYXZGCDWDUIKX-OFFAAIFBSA-K
+
** InChIKey=IPRPPFIAVHPVJH-UHFFFAOYSA-N
 
* common name:
 
* common name:
−
** luteolin 7-O-[β-D-glucosyluronate-(1,2)-β-D-glucosiduronate]-4'-O-β-D-glucosiduronate
+
** (4-hydroxyphenyl)acetaldehyde
 
* molecular weight:
 
* molecular weight:
−
** 811.593    
+
** 136.15    
 
* Synonym(s):
 
* Synonym(s):
−
** luteolin 7-O-[β-D-glucosyluronate-(1->2)-β-D-glucuronide]-4'-O-β-D-glucuronide
+
** HPAL
−
** luteolin triglucuronide
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-15289]]
+
* [[RXN3O-4113]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-5821]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 +
* CAS : 7339-87-9
 +
* METABOLIGHTS : MTBLC15621
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=46878438 46878438]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=440113 440113]
 +
* HMDB : HMDB03767
 +
* LIGAND-CPD:
 +
** [http://www.genome.jp/dbget-bin/www_bget?C03765 C03765]
 +
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.15403391.html 15403391]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58678 58678]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15621 15621]
−
* HMDB : HMDB60296
+
* BIGG : 4hoxpacd
−
{{#set: smiles=C(C6(OC(OC5(=CC=C(C1(OC4(C(C(C=1)=O)=C(C=C(OC2(C(C(C(C(C([O-])=O)O2)O)O)OC3(OC(C(C(C3O)O)O)C([O-])=O)))C=4)O)))C=C5O))C(C(C6O)O)O))(=O)[O-]}}
+
{{#set: smiles=[CH](=O)CC1(C=CC(O)=CC=1)}}
−
{{#set: inchi key=InChIKey=AEYXZGCDWDUIKX-OFFAAIFBSA-K}}
+
{{#set: inchi key=InChIKey=IPRPPFIAVHPVJH-UHFFFAOYSA-N}}
−
{{#set: common name=luteolin 7-O-[β-D-glucosyluronate-(1,2)-β-D-glucosiduronate]-4'-O-β-D-glucosiduronate}}
+
{{#set: common name=(4-hydroxyphenyl)acetaldehyde}}
−
{{#set: molecular weight=811.593   }}
+
{{#set: molecular weight=136.15   }}
−
{{#set: common name=luteolin 7-O-[β-D-glucosyluronate-(1->2)-β-D-glucuronide]-4'-O-β-D-glucuronide|luteolin triglucuronide}}
+
{{#set: common name=HPAL}}
−
{{#set: consumed by=RXN-15289}}
+
{{#set: consumed by=RXN3O-4113}}
 +
{{#set: produced by=RXN-5821}}

Revision as of 18:53, 18 March 2018

Metabolite HYDRPHENYLAC-CPD

  • smiles:
    • [CH](=O)CC1(C=CC(O)=CC=1)
  • inchi key:
    • InChIKey=IPRPPFIAVHPVJH-UHFFFAOYSA-N
  • common name:
    • (4-hydroxyphenyl)acetaldehyde
  • molecular weight:
    • 136.15
  • Synonym(s):
    • HPAL

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 7339-87-9
  • METABOLIGHTS : MTBLC15621
  • PUBCHEM:
  • HMDB : HMDB03767
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • BIGG : 4hoxpacd
"CH](=O)CC1(C=CC(O)=CC=1)" cannot be used as a page name in this wiki.




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