Difference between revisions of "HEMN-RXN"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-292 CPD-292] == * smiles: ** CCCCCCCCCCCCCC=C[CH]=O * inchi key: ** InChIKey=KLJFYXOVGVXZKT...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-OCTAPRENYL-4-HYDROXYBENZOATE 3-OCTAPRENYL-4-HYDROXYBENZOATE] == * smiles: ** CC(=CCCC(=CCCC(=...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-292 CPD-292] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-OCTAPRENYL-4-HYDROXYBENZOATE 3-OCTAPRENYL-4-HYDROXYBENZOATE] ==
 
* smiles:
 
* smiles:
** CCCCCCCCCCCCCC=C[CH]=O
+
** CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(O)C=CC(C(=O)[O-])=C1))C)C)C)C)C)C)C)C
 
* inchi key:
 
* inchi key:
** InChIKey=KLJFYXOVGVXZKT-CCEZHUSRSA-N
+
** InChIKey=UTIBHEBNILDQKX-LQOKPSQISA-M
 
* common name:
 
* common name:
** (2E)-hexadecenal
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** 3-octaprenyl-4-hydroxybenzoate
 
* molecular weight:
 
* molecular weight:
** 238.412    
+
** 682.06    
 
* Synonym(s):
 
* Synonym(s):
** trans-hexadec-2-enal
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN3DJ-11230]]
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* [[4OHBENZOATE-OCTAPRENYLTRANSFER-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* LIPID_MAPS : LMFA06000089
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5280541 5280541]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=54685638 54685638]
* HMDB : HMDB60482
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* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C06123 C06123]
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* CHEMSPIDER:
 
* CHEMSPIDER:
** [http://www.chemspider.com/Chemical-Structure.4444172.html 4444172]
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** [http://www.chemspider.com/Chemical-Structure.5256806.html 5256806]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17585 17585]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=1617 1617]
{{#set: smiles=CCCCCCCCCCCCCC=C[CH]=O}}
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* BIGG : 3ophb
{{#set: inchi key=InChIKey=KLJFYXOVGVXZKT-CCEZHUSRSA-N}}
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* LIGAND-CPD:
{{#set: common name=(2E)-hexadecenal}}
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** [http://www.genome.jp/dbget-bin/www_bget?C05809 C05809]
{{#set: molecular weight=238.412   }}
+
{{#set: smiles=CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(O)C=CC(C(=O)[O-])=C1))C)C)C)C)C)C)C)C}}
{{#set: common name=trans-hexadec-2-enal}}
+
{{#set: inchi key=InChIKey=UTIBHEBNILDQKX-LQOKPSQISA-M}}
{{#set: produced by=RXN3DJ-11230}}
+
{{#set: common name=3-octaprenyl-4-hydroxybenzoate}}
 +
{{#set: molecular weight=682.06   }}
 +
{{#set: produced by=4OHBENZOATE-OCTAPRENYLTRANSFER-RXN}}

Revision as of 17:39, 10 January 2018

Metabolite 3-OCTAPRENYL-4-HYDROXYBENZOATE

  • smiles:
    • CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(O)C=CC(C(=O)[O-])=C1))C)C)C)C)C)C)C)C
  • inchi key:
    • InChIKey=UTIBHEBNILDQKX-LQOKPSQISA-M
  • common name:
    • 3-octaprenyl-4-hydroxybenzoate
  • molecular weight:
    • 682.06
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(O)C=CC(C(=O)[O-])=C1))C)C)C)C)C)C)C)C" cannot be used as a page name in this wiki.