Difference between revisions of "Tiso gene 1110"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ALPHA-METHYL-5-ALPHA-ERGOSTA ALPHA-METHYL-5-ALPHA-ERGOSTA] == * smiles: ** CC(C)C(=C)CCC(C)[CH]...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-804 CPD-804] == * smiles: ** C(CCC(O)CC(C([O-])=O)=O)([O-])=O * inchi key: ** InChIKey=HNOA...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ALPHA-METHYL-5-ALPHA-ERGOSTA ALPHA-METHYL-5-ALPHA-ERGOSTA] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-804 CPD-804] ==
 
* smiles:
 
* smiles:
−
** CC(C)C(=C)CCC(C)[CH]3(CC=C4(C2(CC[CH]1(C(C)C(O)CCC(C)1C=2CCC(C)34))))
+
** C(CCC(O)CC(C([O-])=O)=O)([O-])=O
 
* inchi key:
 
* inchi key:
−
** InChIKey=HLAWVOWADPNAGN-BAHZUFOISA-N
+
** InChIKey=HNOAJOYERZTSNK-BYPYZUCNSA-L
 
* common name:
 
* common name:
−
** 4α-methyl-5α-ergosta-8,14,24(28)-trien-3β-ol
+
** (4S)-4-hydroxy-2-oxoheptanedioate
 
* molecular weight:
 
* molecular weight:
−
** 410.682    
+
** 188.137    
 
* Synonym(s):
 
* Synonym(s):
−
** 4α-methyl-5α-ergosta-8,14,24(241)-trien-3β-ol
+
** 4-hydroxy-2-ketoheptane-1,7-dioate
 +
** 2-oxo-4-hydroxyhepta-1,7-dioate
 +
** 4-hydroxy-2-oxo-heptanedioate
 +
** 4-hydroxy-2-ketopimelate
 +
** 2-keto-4-hydroxypimelate
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-4144]]
+
* [[4-HYDROXY-2-KETOPIMELATE-LYSIS-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[OBFOOLor]]
 
−
* [[1.14.13.70-RXN]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=443237 443237]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=91828275 91828275]
 +
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.19951289.html 19951289]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=30109 30109]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=87522 87522]
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C11508 C11508]
+
** [http://www.genome.jp/dbget-bin/www_bget?C05601 C05601]
−
* HMDB : HMDB06928
+
{{#set: smiles=C(CCC(O)CC(C([O-])=O)=O)([O-])=O}}
−
{{#set: smiles=CC(C)C(=C)CCC(C)[CH]3(CC=C4(C2(CC[CH]1(C(C)C(O)CCC(C)1C=2CCC(C)34))))}}
+
{{#set: inchi key=InChIKey=HNOAJOYERZTSNK-BYPYZUCNSA-L}}
−
{{#set: inchi key=InChIKey=HLAWVOWADPNAGN-BAHZUFOISA-N}}
+
{{#set: common name=(4S)-4-hydroxy-2-oxoheptanedioate}}
−
{{#set: common name=4α-methyl-5α-ergosta-8,14,24(28)-trien-3β-ol}}
+
{{#set: molecular weight=188.137   }}
−
{{#set: molecular weight=410.682   }}
+
{{#set: common name=4-hydroxy-2-ketoheptane-1,7-dioate|2-oxo-4-hydroxyhepta-1,7-dioate|4-hydroxy-2-oxo-heptanedioate|4-hydroxy-2-ketopimelate|2-keto-4-hydroxypimelate}}
−
{{#set: common name=4α-methyl-5α-ergosta-8,14,24(241)-trien-3β-ol}}
+
{{#set: consumed by=4-HYDROXY-2-KETOPIMELATE-LYSIS-RXN}}
−
{{#set: consumed by=RXN-4144}}
+
−
{{#set: produced by=OBFOOLor|1.14.13.70-RXN}}
+

Revision as of 17:57, 10 January 2018

Metabolite CPD-804

  • smiles:
    • C(CCC(O)CC(C([O-])=O)=O)([O-])=O
  • inchi key:
    • InChIKey=HNOAJOYERZTSNK-BYPYZUCNSA-L
  • common name:
    • (4S)-4-hydroxy-2-oxoheptanedioate
  • molecular weight:
    • 188.137
  • Synonym(s):
    • 4-hydroxy-2-ketoheptane-1,7-dioate
    • 2-oxo-4-hydroxyhepta-1,7-dioate
    • 4-hydroxy-2-oxo-heptanedioate
    • 4-hydroxy-2-ketopimelate
    • 2-keto-4-hydroxypimelate

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

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



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