Difference between revisions of "CPD-1107"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=4-MALEYL-ACETOACETATE 4-MALEYL-ACETOACETATE] == * smiles: ** C([O-])(=O)C=CC(=O)CC(=O)CC([O-])=...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-1107 CPD-1107] == * smiles: ** C1(O)(C(OP([O-])([O-])=O)C(OP([O-])(=O)[O-])C(OP([O-])(=O)[O...")
 
(One intermediate revision by the same user not shown)
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=4-MALEYL-ACETOACETATE 4-MALEYL-ACETOACETATE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-1107 CPD-1107] ==
 
* smiles:
 
* smiles:
** C([O-])(=O)C=CC(=O)CC(=O)CC([O-])=O
+
** C1(O)(C(OP([O-])([O-])=O)C(OP([O-])(=O)[O-])C(OP([O-])(=O)[O-])C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])1)
 
* inchi key:
 
* inchi key:
** InChIKey=GACSIVHAIFQKTC-UPHRSURJSA-L
+
** InChIKey=CTPQAXVNYGZUAJ-KXXVROSKSA-D
 
* common name:
 
* common name:
** 4-maleyl-acetoacetate
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** D-myo-inositol 1,3,4,5,6-pentakisphosphate
 
* molecular weight:
 
* molecular weight:
** 198.132    
+
** 569.977    
 
* Synonym(s):
 
* Synonym(s):
 +
** Ins(1,3,4,5,6)P5
 +
** 1D-myo-inositol 1,3,4,5,6-pentakisphosphate
 +
** inositol 1,3,4,5,6-pentakisphosphate
 +
** I(1,3,4,5,6)P5
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-10955]]
 +
* [[RXN-7163]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[HOMOGENTISATE-12-DIOXYGENASE-RXN]]
+
* [[2.7.1.134-RXN]]
 +
* [[2.7.1.140-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* PUBCHEM:
 
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5460066 5460066]
 
* HMDB : HMDB02052
 
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C01036 C01036]
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** [http://www.genome.jp/dbget-bin/www_bget?C01284 C01284]
* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.4573741.html 4573741]
+
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17105 17105]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=27570 27570]
* METABOLIGHTS : MTBLC17105
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* METABOLIGHTS : MTBLC57733
{{#set: smiles=C([O-])(=O)C=CC(=O)CC(=O)CC([O-])=O}}
+
* HMDB : HMDB03529
{{#set: inchi key=InChIKey=GACSIVHAIFQKTC-UPHRSURJSA-L}}
+
{{#set: smiles=C1(O)(C(OP([O-])([O-])=O)C(OP([O-])(=O)[O-])C(OP([O-])(=O)[O-])C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])1)}}
{{#set: common name=4-maleyl-acetoacetate}}
+
{{#set: inchi key=InChIKey=CTPQAXVNYGZUAJ-KXXVROSKSA-D}}
{{#set: molecular weight=198.132   }}
+
{{#set: common name=D-myo-inositol 1,3,4,5,6-pentakisphosphate}}
{{#set: produced by=HOMOGENTISATE-12-DIOXYGENASE-RXN}}
+
{{#set: molecular weight=569.977   }}
 +
{{#set: common name=Ins(1,3,4,5,6)P5|1D-myo-inositol 1,3,4,5,6-pentakisphosphate|inositol 1,3,4,5,6-pentakisphosphate|I(1,3,4,5,6)P5}}
 +
{{#set: consumed by=RXN-10955|RXN-7163}}
 +
{{#set: produced by=2.7.1.134-RXN|2.7.1.140-RXN}}

Latest revision as of 20:00, 21 March 2018

Metabolite CPD-1107

  • smiles:
    • C1(O)(C(OP([O-])([O-])=O)C(OP([O-])(=O)[O-])C(OP([O-])(=O)[O-])C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])1)
  • inchi key:
    • InChIKey=CTPQAXVNYGZUAJ-KXXVROSKSA-D
  • common name:
    • D-myo-inositol 1,3,4,5,6-pentakisphosphate
  • molecular weight:
    • 569.977
  • Synonym(s):
    • Ins(1,3,4,5,6)P5
    • 1D-myo-inositol 1,3,4,5,6-pentakisphosphate
    • inositol 1,3,4,5,6-pentakisphosphate
    • I(1,3,4,5,6)P5

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • LIGAND-CPD:
  • CHEBI:
  • METABOLIGHTS : MTBLC57733
  • HMDB : HMDB03529
"C1(O)(C(OP([O-])([O-])=O)C(OP([O-])(=O)[O-])C(OP([O-])(=O)[O-])C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])1)" cannot be used as a page name in this wiki.