Difference between revisions of "RXN-11213"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=D-SEDOHEPTULOSE-1-7-P2 D-SEDOHEPTULOSE-1-7-P2] == * smiles: ** C(OP(=O)([O-])[O-])C(O)C(O)C(O)C...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-182 CPD-182] == * smiles: ** CC1(=CC(OC2(C=C(O)C=CC1=2))=O) * inchi key: ** InChIKey=HSHNIT...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=D-SEDOHEPTULOSE-1-7-P2 D-SEDOHEPTULOSE-1-7-P2] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-182 CPD-182] ==
 
* smiles:
 
* smiles:
** C(OP(=O)([O-])[O-])C(O)C(O)C(O)C(O)C(COP([O-])(=O)[O-])=O
+
** CC1(=CC(OC2(C=C(O)C=CC1=2))=O)
 
* inchi key:
 
* inchi key:
** InChIKey=OKHXOUGRECCASI-SHUUEZRQSA-J
+
** InChIKey=HSHNITRMYYLLCV-UHFFFAOYSA-N
 
* common name:
 
* common name:
** D-sedoheptulose-1,7-bisphosphate
+
** 4-methylumbelliferone
 
* molecular weight:
 
* molecular weight:
** 366.112    
+
** 176.171    
 
* Synonym(s):
 
* Synonym(s):
** sedoheptulose 1,7-bisphosphate
+
** Hymecromone
** D-sedoheptulose-1,7-diphosphate
+
** D-sedoheptulose-1,7-P2
+
** SBP
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[SEDOHEPTULOSE-BISPHOSPHATASE-RXN]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN0-6541]]
+
* [[RXN-10769]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[SEDOBISALDOL-RXN]]
 
 
== External links  ==
 
== External links  ==
 +
* CAS : 90-33-5
 +
* DRUGBANK : DB07118
 +
* PUBCHEM:
 +
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5280567 5280567]
 +
* HMDB : HMDB59622
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C00447 C00447]
+
** [http://www.genome.jp/dbget-bin/www_bget?C03081 C03081]
 +
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.4444190.html 4444190]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58335 58335]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17224 17224]
* METABOLIGHTS : MTBLC58335
+
* METABOLIGHTS : MTBLC17224
* PUBCHEM:
+
{{#set: smiles=CC1(=CC(OC2(C=C(O)C=CC1=2))=O)}}
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=46878435 46878435]
+
{{#set: inchi key=InChIKey=HSHNITRMYYLLCV-UHFFFAOYSA-N}}
* HMDB : HMDB60274
+
{{#set: common name=4-methylumbelliferone}}
{{#set: smiles=C(OP(=O)([O-])[O-])C(O)C(O)C(O)C(O)C(COP([O-])(=O)[O-])=O}}
+
{{#set: molecular weight=176.171   }}
{{#set: inchi key=InChIKey=OKHXOUGRECCASI-SHUUEZRQSA-J}}
+
{{#set: common name=Hymecromone}}
{{#set: common name=D-sedoheptulose-1,7-bisphosphate}}
+
{{#set: produced by=RXN-10769}}
{{#set: molecular weight=366.112   }}
+
{{#set: common name=sedoheptulose 1,7-bisphosphate|D-sedoheptulose-1,7-diphosphate|D-sedoheptulose-1,7-P2|SBP}}
+
{{#set: consumed by=SEDOHEPTULOSE-BISPHOSPHATASE-RXN}}
+
{{#set: produced by=RXN0-6541}}
+
{{#set: consumed or produced by=SEDOBISALDOL-RXN}}
+

Revision as of 17:24, 10 January 2018

Metabolite CPD-182

  • smiles:
    • CC1(=CC(OC2(C=C(O)C=CC1=2))=O)
  • inchi key:
    • InChIKey=HSHNITRMYYLLCV-UHFFFAOYSA-N
  • common name:
    • 4-methylumbelliferone
  • molecular weight:
    • 176.171
  • Synonym(s):
    • Hymecromone

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 90-33-5
  • DRUGBANK : DB07118
  • PUBCHEM:
  • HMDB : HMDB59622
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC17224