Difference between revisions of "Tiso gene 19650"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12177 CPD-12177] == * smiles: ** CC([CH]=O)C(=O)[O-] * inchi key: ** InChIKey=VOKUMXABRRXHA...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-11876 CPD-11876] == * smiles: ** COC1(=C(O)C=CC(C(O)C=O)=C1) * inchi key: ** InChIKey=VISAJ...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12177 CPD-12177] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-11876 CPD-11876] ==
 
* smiles:
 
* smiles:
−
** CC([CH]=O)C(=O)[O-]
+
** COC1(=C(O)C=CC(C(O)C=O)=C1)
 
* inchi key:
 
* inchi key:
−
** InChIKey=VOKUMXABRRXHAR-GSVOUGTGSA-M
+
** InChIKey=VISAJVAPYPFKCL-QMMMGPOBSA-N
 
* common name:
 
* common name:
−
** (R)-methylmalonate-semialdehyde
+
** 3-methoxy-4-hydroxyphenylglycolaldehyde
 
* molecular weight:
 
* molecular weight:
−
** 101.082    
+
** 182.176    
 
* Synonym(s):
 
* Synonym(s):
−
** (R)-2-methyl-3-oxopropanoate
+
** MOPEGAL
−
** (R)-ch3-malonate-semialdehyde
+
** 4-hydroxy-3-methoxymandelaldehyde
 +
** 3-methoxy 4-hydroxy mandelic aldehyde
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[RXN-14056]]
+
* [[RXN-10915]]
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=46173310 46173310]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90658114 90658114]
−
{{#set: smiles=CC([CH]=O)C(=O)[O-]}}
+
* CHEMSPIDER:
−
{{#set: inchi key=InChIKey=VOKUMXABRRXHAR-GSVOUGTGSA-M}}
+
** [http://www.chemspider.com/Chemical-Structure.389601.html 389601]
−
{{#set: common name=(R)-methylmalonate-semialdehyde}}
+
* LIGAND-CPD:
−
{{#set: molecular weight=101.082   }}
+
** [http://www.genome.jp/dbget-bin/www_bget?C05583 C05583]
−
{{#set: common name=(R)-2-methyl-3-oxopropanoate|(R)-ch3-malonate-semialdehyde}}
+
* HMDB : HMDB04061
−
{{#set: consumed or produced by=RXN-14056}}
+
{{#set: smiles=COC1(=C(O)C=CC(C(O)C=O)=C1)}}
 +
{{#set: inchi key=InChIKey=VISAJVAPYPFKCL-QMMMGPOBSA-N}}
 +
{{#set: common name=3-methoxy-4-hydroxyphenylglycolaldehyde}}
 +
{{#set: molecular weight=182.176   }}
 +
{{#set: common name=MOPEGAL|4-hydroxy-3-methoxymandelaldehyde|3-methoxy 4-hydroxy mandelic aldehyde}}
 +
{{#set: reversible reaction associated=RXN-10915}}

Revision as of 17:56, 18 March 2018

Metabolite CPD-11876

  • smiles:
    • COC1(=C(O)C=CC(C(O)C=O)=C1)
  • inchi key:
    • InChIKey=VISAJVAPYPFKCL-QMMMGPOBSA-N
  • common name:
    • 3-methoxy-4-hydroxyphenylglycolaldehyde
  • molecular weight:
    • 182.176
  • Synonym(s):
    • MOPEGAL
    • 4-hydroxy-3-methoxymandelaldehyde
    • 3-methoxy 4-hydroxy mandelic aldehyde

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links




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