Difference between revisions of "CPD-7279"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=N-ACETYL-NEURAMINATE-9P N-ACETYL-NEURAMINATE-9P] == * smiles: ** CC(=O)NC1(C(CC(C([O-])=O)(O)O[...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7279 CPD-7279] == * smiles: ** CC(C=CC12(C(CC(CC1(C)O2)O)(C)C))=CC=O * common name: ** 2-ci...")
 
(2 intermediate revisions by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=N-ACETYL-NEURAMINATE-9P N-ACETYL-NEURAMINATE-9P] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7279 CPD-7279] ==
 
* smiles:
 
* smiles:
−
** CC(=O)NC1(C(CC(C([O-])=O)(O)O[CH]1C(O)C(O)COP([O-])([O-])=O)O)
+
** CC(C=CC12(C(CC(CC1(C)O2)O)(C)C))=CC=O
−
* inchi key:
+
−
** InChIKey=SQMNIXJSBCSNCI-PFQGKNLYSA-K
+
 
* common name:
 
* common name:
−
** N-acetyl-β-neuraminate 9-phosphate
+
** 2-cis,4-trans-xanthoxin
 +
* inchi key:
 +
** InChIKey=ZTALKMXOHWQNIA-HLJJCREZSA-N
 
* molecular weight:
 
* molecular weight:
−
** 386.229    
+
** 250.337    
 
* Synonym(s):
 
* Synonym(s):
−
** N-acetyl-β-neuraminate-9-P
+
** xanthoxin
−
** N-acetyl-β-neuraminic acid 9-phosphate
+
  
 
== 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 ==
−
* [[RXN-9988]]
+
* [[RXN-7973]]
 +
* [[RXN-7974]]
 +
* [[RXN-698]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
−
* LIGAND-CPD:
 
−
** [http://www.genome.jp/dbget-bin/www_bget?C06241 C06241]
 
−
* CHEBI:
 
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=27438 27438]
 
−
* METABOLIGHTS : MTBLC27438
 
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90658964 90658964]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=91820570 91820570]
−
* HMDB : HMDB04381
+
* CHEMSPIDER:
−
{{#set: smiles=CC(=O)NC1(C(CC(C([O-])=O)(O)O[CH]1C(O)C(O)COP([O-])([O-])=O)O)}}
+
** [http://www.chemspider.com/Chemical-Structure.4445403.html 4445403]
−
{{#set: inchi key=InChIKey=SQMNIXJSBCSNCI-PFQGKNLYSA-K}}
+
* CHEBI:
−
{{#set: common name=N-acetyl-β-neuraminate 9-phosphate}}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=32304 32304]
−
{{#set: molecular weight=386.229   }}
+
* LIGAND-CPD:
−
{{#set: common name=N-acetyl-β-neuraminate-9-P|N-acetyl-β-neuraminic acid 9-phosphate}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C13453 C13453]
−
{{#set: produced by=RXN-9988}}
+
{{#set: smiles=CC(C=CC12(C(CC(CC1(C)O2)O)(C)C))=CC=O}}
 +
{{#set: common name=2-cis,4-trans-xanthoxin}}
 +
{{#set: inchi key=InChIKey=ZTALKMXOHWQNIA-HLJJCREZSA-N}}
 +
{{#set: molecular weight=250.337   }}
 +
{{#set: common name=xanthoxin}}
 +
{{#set: produced by=RXN-7973|RXN-7974|RXN-698}}

Latest revision as of 19:48, 21 March 2018

Metabolite CPD-7279

  • smiles:
    • CC(C=CC12(C(CC(CC1(C)O2)O)(C)C))=CC=O
  • common name:
    • 2-cis,4-trans-xanthoxin
  • inchi key:
    • InChIKey=ZTALKMXOHWQNIA-HLJJCREZSA-N
  • molecular weight:
    • 250.337
  • Synonym(s):
    • xanthoxin

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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