Difference between revisions of "Tiso gene 2667"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=INDOXYL INDOXYL] == * smiles: ** C2(C=CC1(=C(C(O)=CN1)C=2)) * inchi key: ** InChIKey=PCKPVGOLPK...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD1G-1353 CPD1G-1353] == * smiles: ** CCCCCCCCCCCCCCCCCCCCCCCCC(C(OCC1(OC(C(C(C1O)O)O)OC2(C(C(...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=INDOXYL INDOXYL] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD1G-1353 CPD1G-1353] ==
 
* smiles:
 
* smiles:
−
** C2(C=CC1(=C(C(O)=CN1)C=2))
+
** CCCCCCCCCCCCCCCCCCCCCCCCC(C(OCC1(OC(C(C(C1O)O)O)OC2(C(C(C(C(O2)CO)O)O)O)))=O)C(O)CCCCCCCCCCCCCCCCCCCC3(CC(CCCCCCCCCCCCCCCCC(=O)C(CCCCCCCCCCCCCCCCCC)C)3)
−
* inchi key:
+
−
** InChIKey=PCKPVGOLPKLUHR-UHFFFAOYSA-N
+
 
* common name:
 
* common name:
−
** indoxyl
+
** trehalose-cis-keto-mono-mycolate
 +
* inchi key:
 +
** InChIKey=WPVQFTORCFMMCP-WBSUMZSHSA-N
 
* molecular weight:
 
* molecular weight:
−
** 133.149    
+
** 1590.555    
 
* Synonym(s):
 
* Synonym(s):
−
** indole-3-ol
 
  
 
== 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 ==
 +
* [[RXN1G-1438]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[RXN-15587]]
 
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=50591 50591]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90657448 90657448]
−
* CHEMSPIDER:
+
{{#set: smiles=CCCCCCCCCCCCCCCCCCCCCCCCC(C(OCC1(OC(C(C(C1O)O)O)OC2(C(C(C(C(O2)CO)O)O)O)))=O)C(O)CCCCCCCCCCCCCCCCCCCC3(CC(CCCCCCCCCCCCCCCCC(=O)C(CCCCCCCCCCCCCCCCCC)C)3)}}
−
** [http://www.chemspider.com/Chemical-Structure.45861.html 45861]
+
{{#set: common name=trehalose-cis-keto-mono-mycolate}}
−
* CHEBI:
+
{{#set: inchi key=InChIKey=WPVQFTORCFMMCP-WBSUMZSHSA-N}}
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17840 17840]
+
{{#set: molecular weight=1590.555   }}
−
* LIGAND-CPD:
+
{{#set: produced by=RXN1G-1438}}
−
** [http://www.genome.jp/dbget-bin/www_bget?C05658 C05658]
+
−
* HMDB : HMDB04094
+
−
{{#set: smiles=C2(C=CC1(=C(C(O)=CN1)C=2))}}
+
−
{{#set: inchi key=InChIKey=PCKPVGOLPKLUHR-UHFFFAOYSA-N}}
+
−
{{#set: common name=indoxyl}}
+
−
{{#set: molecular weight=133.149   }}
+
−
{{#set: common name=indole-3-ol}}
+
−
{{#set: reversible reaction associated=RXN-15587}}
+

Revision as of 16:59, 21 March 2018

Metabolite CPD1G-1353

  • smiles:
    • CCCCCCCCCCCCCCCCCCCCCCCCC(C(OCC1(OC(C(C(C1O)O)O)OC2(C(C(C(C(O2)CO)O)O)O)))=O)C(O)CCCCCCCCCCCCCCCCCCCC3(CC(CCCCCCCCCCCCCCCCC(=O)C(CCCCCCCCCCCCCCCCCC)C)3)
  • common name:
    • trehalose-cis-keto-mono-mycolate
  • inchi key:
    • InChIKey=WPVQFTORCFMMCP-WBSUMZSHSA-N
  • molecular weight:
    • 1590.555
  • Synonym(s):

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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