Difference between revisions of "2-HYDROXY-2-METHYLPROPANENITRILE"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=D-MYO-INOSITOL-34-BISPHOSPHATE D-MYO-INOSITOL-34-BISPHOSPHATE] == * smiles: ** C1(O)(C(O)C(O)C(...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-11412 CPD-11412] == * smiles: ** C(OC1(C(O)C(O)C(O)C(C(=O)[O-])O1))(=O)CC2(C=C(I)C(=C(I)C=2...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=D-MYO-INOSITOL-34-BISPHOSPHATE D-MYO-INOSITOL-34-BISPHOSPHATE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-11412 CPD-11412] ==
 
* smiles:
 
* smiles:
−
** C1(O)(C(O)C(O)C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])C(O)1)
+
** C(OC1(C(O)C(O)C(O)C(C(=O)[O-])O1))(=O)CC2(C=C(I)C(=C(I)C=2)OC3(=CC(I)=C(O)C=C3))
−
* inchi key:
+
−
** InChIKey=MCKAJXMRULSUKI-CNWJWELYSA-J
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* common name:
 
* common name:
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** D-myo-inositol (3,4)-bisphosphate
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** triiodothyroacetate ester glucuronide
 +
* inchi key:
 +
** InChIKey=FPEJNMNXCSITJO-KFYUBCHVSA-M
 
* molecular weight:
 
* molecular weight:
−
** 336.085    
+
** 797.054    
 
* Synonym(s):
 
* Synonym(s):
−
** 1D-myo-inositol (3,4)-bisphosphate
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** triiodothyroacetic acid ester glucuronide
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** inositol (3,4)-bisphosphate
+
−
** (2,3,4,5)-tetrahydroxy-6-phosphonooxy-cyclohexoxy)phosphonic acid
+
−
** Ins(3,4)P2
+
−
** I(3,4)P2
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-10960]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-10939]]
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* [[RXN-10618]]
 
== 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=21120281 21120281]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90659348 90659348]
−
* CHEMSPIDER:
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{{#set: smiles=C(OC1(C(O)C(O)C(O)C(C(=O)[O-])O1))(=O)CC2(C=C(I)C(=C(I)C=2)OC3(=CC(I)=C(O)C=C3))}}
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** [http://www.chemspider.com/Chemical-Structure.19980559.html 19980559]
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{{#set: common name=triiodothyroacetate ester glucuronide}}
−
* CHEBI:
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{{#set: inchi key=InChIKey=FPEJNMNXCSITJO-KFYUBCHVSA-M}}
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=83241 83241]
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{{#set: molecular weight=797.054   }}
−
* LIGAND-CPD:
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{{#set: common name=triiodothyroacetic acid ester glucuronide}}
−
** [http://www.genome.jp/dbget-bin/www_bget?C04063 C04063]
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{{#set: produced by=RXN-10618}}
−
* HMDB : HMDB06235
+
−
{{#set: smiles=C1(O)(C(O)C(O)C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])C(O)1)}}
+
−
{{#set: inchi key=InChIKey=MCKAJXMRULSUKI-CNWJWELYSA-J}}
+
−
{{#set: common name=D-myo-inositol (3,4)-bisphosphate}}
+
−
{{#set: molecular weight=336.085   }}
+
−
{{#set: common name=1D-myo-inositol (3,4)-bisphosphate|inositol (3,4)-bisphosphate|(2,3,4,5)-tetrahydroxy-6-phosphonooxy-cyclohexoxy)phosphonic acid|Ins(3,4)P2|I(3,4)P2}}
+
−
{{#set: consumed by=RXN-10960}}
+
−
{{#set: produced by=RXN-10939}}
+

Revision as of 15:58, 21 March 2018

Metabolite CPD-11412

  • smiles:
    • C(OC1(C(O)C(O)C(O)C(C(=O)[O-])O1))(=O)CC2(C=C(I)C(=C(I)C=2)OC3(=CC(I)=C(O)C=C3))
  • common name:
    • triiodothyroacetate ester glucuronide
  • inchi key:
    • InChIKey=FPEJNMNXCSITJO-KFYUBCHVSA-M
  • molecular weight:
    • 797.054
  • Synonym(s):
    • triiodothyroacetic acid ester glucuronide

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C(OC1(C(O)C(O)C(O)C(C(=O)[O-])O1))(=O)CC2(C=C(I)C(=C(I)C=2)OC3(=CC(I)=C(O)C=C3))" cannot be used as a page name in this wiki.



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