Difference between revisions of "Tiso gene 18908"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-707 CPD-707] == * smiles: ** CC(C)C(C)CCC(C)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC(...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=HOMOGENTISATE HOMOGENTISATE] == * smiles: ** C1(C(=CC(=C(C=1)O)CC([O-])=O)O) * inchi key: ** In...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-707 CPD-707] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=HOMOGENTISATE HOMOGENTISATE] ==
 
* smiles:
 
* smiles:
−
** CC(C)C(C)CCC(C)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))
+
** C1(C(=CC(=C(C=1)O)CC([O-])=O)O)
 
* inchi key:
 
* inchi key:
−
** InChIKey=SGNBVLSWZMBQTH-PODYLUTMSA-N
+
** InChIKey=IGMNYECMUMZDDF-UHFFFAOYSA-M
 
* common name:
 
* common name:
−
** campesterol
+
** homogentisate
 
* molecular weight:
 
* molecular weight:
−
** 400.687    
+
** 167.141    
 
* Synonym(s):
 
* Synonym(s):
−
** cholest 5-en-3-ol, 24-methyl
+
** 2,5-dihydroxyphenylacetate
−
** ergost-5-en-3β-ol, (24R)-
+
−
** (24R)-24-methylcholest-5-en-3β-ol
+
−
** 24(R)-methylcholesterol
+
−
** campesterin
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-4225]]
+
* [[HGDO]]
 +
* [[HOMOGENTISATE-12-DIOXYGENASE-RXN]]
 +
* [[RXN-2541]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[HPPD]]
 +
* [[4-HYDROXYPHENYLPYRUVATE-DIOXYGENASE-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
−
* LIPID_MAPS : LMST01030097
 
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=173183 173183]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5460389 5460389]
−
* HMDB : HMDB02869
+
* HMDB : HMDB00130
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C01789 C01789]
+
** [http://www.genome.jp/dbget-bin/www_bget?C00544 C00544]
 
* CHEMSPIDER:
 
* CHEMSPIDER:
−
** [http://www.chemspider.com/Chemical-Structure.10469749.html 10469749]
+
** [http://www.chemspider.com/Chemical-Structure.4573931.html 4573931]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=28623 28623]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16169 16169]
−
{{#set: smiles=CC(C)C(C)CCC(C)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))}}
+
* METABOLIGHTS : MTBLC16169
−
{{#set: inchi key=InChIKey=SGNBVLSWZMBQTH-PODYLUTMSA-N}}
+
{{#set: smiles=C1(C(=CC(=C(C=1)O)CC([O-])=O)O)}}
−
{{#set: common name=campesterol}}
+
{{#set: inchi key=InChIKey=IGMNYECMUMZDDF-UHFFFAOYSA-M}}
−
{{#set: molecular weight=400.687   }}
+
{{#set: common name=homogentisate}}
−
{{#set: common name=cholest 5-en-3-ol, 24-methyl|ergost-5-en-3β-ol, (24R)-|(24R)-24-methylcholest-5-en-3β-ol|24(R)-methylcholesterol|campesterin}}
+
{{#set: molecular weight=167.141   }}
−
{{#set: consumed by=RXN-4225}}
+
{{#set: common name=2,5-dihydroxyphenylacetate}}
 +
{{#set: consumed by=HGDO|HOMOGENTISATE-12-DIOXYGENASE-RXN|RXN-2541}}
 +
{{#set: produced by=HPPD|4-HYDROXYPHENYLPYRUVATE-DIOXYGENASE-RXN}}

Revision as of 18:31, 10 January 2018

Metabolite HOMOGENTISATE

  • smiles:
    • C1(C(=CC(=C(C=1)O)CC([O-])=O)O)
  • inchi key:
    • InChIKey=IGMNYECMUMZDDF-UHFFFAOYSA-M
  • common name:
    • homogentisate
  • molecular weight:
    • 167.141
  • Synonym(s):
    • 2,5-dihydroxyphenylacetate

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C1(C(=CC(=C(C=1)O)CC([O-])=O)O)" cannot be used as a page name in this wiki.




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