Difference between revisions of "CPD-3617"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-505 CPD-505] == * smiles: ** C1(O)(C(OP([O-])(=O)[O-])C(OP([O-])([O-])=O)C(O)C(OP(=O)([O-])...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-3617 CPD-3617] == * smiles: ** CCCCCCCCCC(=O)[O-] * common name: ** decanoate * inchi key:...")
 
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-505 CPD-505] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-3617 CPD-3617] ==
 
* smiles:
 
* smiles:
** C1(O)(C(OP([O-])(=O)[O-])C(OP([O-])([O-])=O)C(O)C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])1)
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** CCCCCCCCCC(=O)[O-]
 
* common name:
 
* common name:
** D-myo-inositol (1,3,4,6)-tetrakisphosphate
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** decanoate
 
* inchi key:
 
* inchi key:
** InChIKey=ZAWIXNGTTZTBKV-JMVOWJSSSA-F
+
** InChIKey=GHVNFZFCNZKVNT-UHFFFAOYSA-M
 
* molecular weight:
 
* molecular weight:
** 492.013    
+
** 171.259    
 
* Synonym(s):
 
* Synonym(s):
** Ins(1,3,4,6)P4
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** caprate
** inositol (1,3,4,6)-tetrakisphosphate
+
** decanoic acid
** 1D-myo -inositol 1,3,4,6-tetrakisphosphate
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** n-decanoate
 +
** n-capric acid
 +
** caprinic acid
 +
** caprinate
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[2.7.1.140-RXN]]
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* [[RXN-13614]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[2.7.1.133-RXN]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 +
* CAS : 334-48-5
 +
* BIGG : dca
 +
* PUBCHEM:
 +
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=4678093 4678093]
 +
* HMDB : HMDB00511
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C04477 C04477]
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** [http://www.genome.jp/dbget-bin/www_bget?C01571 C01571]
* HMDB : HMDB01187
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* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.3866366.html 3866366]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57660 57660]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=27689 27689]
* METABOLIGHTS : MTBLC57660
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* METABOLIGHTS : MTBLC27689
* PUBCHEM:
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{{#set: smiles=CCCCCCCCCC(=O)[O-]}}
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25201336 25201336]
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{{#set: common name=decanoate}}
{{#set: smiles=C1(O)(C(OP([O-])(=O)[O-])C(OP([O-])([O-])=O)C(O)C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])1)}}
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{{#set: inchi key=InChIKey=GHVNFZFCNZKVNT-UHFFFAOYSA-M}}
{{#set: common name=D-myo-inositol (1,3,4,6)-tetrakisphosphate}}
+
{{#set: molecular weight=171.259   }}
{{#set: inchi key=InChIKey=ZAWIXNGTTZTBKV-JMVOWJSSSA-F}}
+
{{#set: common name=caprate|decanoic acid|n-decanoate|n-capric acid|caprinic acid|caprinate}}
{{#set: molecular weight=492.013   }}
+
{{#set: consumed by=RXN-13614}}
{{#set: common name=Ins(1,3,4,6)P4|inositol (1,3,4,6)-tetrakisphosphate|1D-myo -inositol 1,3,4,6-tetrakisphosphate}}
+
{{#set: consumed by=2.7.1.140-RXN}}
+
{{#set: produced by=2.7.1.133-RXN}}
+

Latest revision as of 20:08, 21 March 2018

Metabolite CPD-3617

  • smiles:
    • CCCCCCCCCC(=O)[O-]
  • common name:
    • decanoate
  • inchi key:
    • InChIKey=GHVNFZFCNZKVNT-UHFFFAOYSA-M
  • molecular weight:
    • 171.259
  • Synonym(s):
    • caprate
    • decanoic acid
    • n-decanoate
    • n-capric acid
    • caprinic acid
    • caprinate

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 334-48-5
  • BIGG : dca
  • PUBCHEM:
  • HMDB : HMDB00511
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC27689
"CCCCCCCCCC(=O)[O-" cannot be used as a page name in this wiki.