Difference between revisions of "CPD1F-132"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ACRYLAMIDE ACRYLAMIDE] == * smiles: ** C=CC(=O)N * inchi key: ** InChIKey=HRPVXLWXLXDGHG-UHFFFA...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD1F-132 CPD1F-132] == * smiles: ** C=C1(C4(CC3(C1)(CC[CH]2(C(C)(C([O-])=O)CCCC(C)2[CH]3CC4)))...")
 
(One intermediate revision by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ACRYLAMIDE ACRYLAMIDE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD1F-132 CPD1F-132] ==
 
* smiles:
 
* smiles:
** C=CC(=O)N
+
** C=C1(C4(CC3(C1)(CC[CH]2(C(C)(C([O-])=O)CCCC(C)2[CH]3CC4))))
* inchi key:
+
** InChIKey=HRPVXLWXLXDGHG-UHFFFAOYSA-N
+
 
* common name:
 
* common name:
** acrylamide
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** ent-kaur-16-en-19-oate
 +
* inchi key:
 +
** InChIKey=NIKHGUQULKYIGE-OTCXFQBHSA-M
 
* molecular weight:
 
* molecular weight:
** 71.079    
+
** 301.448    
 
* Synonym(s):
 
* Synonym(s):
 +
** ent-kaurenoate
 +
** ent-kaurenoic acid
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[R311-RXN]]
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* [[1.14.13.79-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[R310-RXN]]
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* [[RXN-7580]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* NCI:
+
* LIPID_MAPS : LMPR0104130004
** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=7785 7785]
+
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6579 6579]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25200785 25200785]
* HMDB : HMDB04296
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* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C01659 C01659]
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* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.6331.html 6331]
+
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=28619 28619]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57297 57297]
{{#set: smiles=C=CC(=O)N}}
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* LIGAND-CPD:
{{#set: inchi key=InChIKey=HRPVXLWXLXDGHG-UHFFFAOYSA-N}}
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** [http://www.genome.jp/dbget-bin/www_bget?C11874 C11874]
{{#set: common name=acrylamide}}
+
{{#set: smiles=C=C1(C4(CC3(C1)(CC[CH]2(C(C)(C([O-])=O)CCCC(C)2[CH]3CC4))))}}
{{#set: molecular weight=71.079   }}
+
{{#set: common name=ent-kaur-16-en-19-oate}}
{{#set: consumed by=R311-RXN}}
+
{{#set: inchi key=InChIKey=NIKHGUQULKYIGE-OTCXFQBHSA-M}}
{{#set: produced by=R310-RXN}}
+
{{#set: molecular weight=301.448   }}
 +
{{#set: common name=ent-kaurenoate|ent-kaurenoic acid}}
 +
{{#set: consumed by=1.14.13.79-RXN}}
 +
{{#set: produced by=RXN-7580}}

Latest revision as of 20:03, 21 March 2018

Metabolite CPD1F-132

  • smiles:
    • C=C1(C4(CC3(C1)(CC[CH]2(C(C)(C([O-])=O)CCCC(C)2[CH]3CC4))))
  • common name:
    • ent-kaur-16-en-19-oate
  • inchi key:
    • InChIKey=NIKHGUQULKYIGE-OTCXFQBHSA-M
  • molecular weight:
    • 301.448
  • Synonym(s):
    • ent-kaurenoate
    • ent-kaurenoic acid

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C=C1(C4(CC3(C1)(CC[CH]2(C(C)(C([O-])=O)CCCC(C)2[CH]3CC4))))" cannot be used as a page name in this wiki.