Difference between revisions of "CPD-9865"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-10546 CPD-10546] == * smiles: ** C1(NC2(C(C=1CC(=O)OC)=CC=CC=2)) * inchi key: ** InChIKey=K...")
 
 
(2 intermediate revisions by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-10546 CPD-10546] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-9865 CPD-9865] ==
 
* smiles:
 
* smiles:
−
** C1(NC2(C(C=1CC(=O)OC)=CC=CC=2))
+
** CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(C(O)=C(OC)C=CC=1))C)C)C)C)C)C)C)C)C)C
 +
* molecular weight:
 +
** 805.321   
 
* inchi key:
 
* inchi key:
−
** InChIKey=KTHADMDGDNYQRX-UHFFFAOYSA-N
+
** InChIKey=FYLLWSGFAAQKHU-GBBROCKZSA-N
 
* common name:
 
* common name:
−
** methyl (indol-3-yl)acetate
+
** 2-methoxy-6-(all-trans-decaprenyl)phenol
−
* molecular weight:
+
−
** 189.213   
+
 
* Synonym(s):
 
* Synonym(s):
−
** IAA methyl ester
 
−
** methyl IAA
 
−
** MeIAA
 
−
** indole-3-acetic acid methyl ester
 
−
** methyl 2-(1H-indol-3-yl)acetate
 
−
** methyl indole-3-acetate
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-10711]]
+
* [[RXN-9234]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 
== 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=74706 74706]
 
−
* KNAPSACK : C00000101
 
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* HMDB : HMDB29738
 
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* LIGAND-CPD:
 
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** [http://www.genome.jp/dbget-bin/www_bget?C20635 C20635]
 
−
* CHEMSPIDER:
 
−
** [http://www.chemspider.com/Chemical-Structure.67279.html 67279]
 
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=72782 72782]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=50774 50774]
−
* METABOLIGHTS : MTBLC72782
+
* METABOLIGHTS : MTBLC50774
−
{{#set: smiles=C1(NC2(C(C=1CC(=O)OC)=CC=CC=2))}}
+
* PUBCHEM:
−
{{#set: inchi key=InChIKey=KTHADMDGDNYQRX-UHFFFAOYSA-N}}
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25010760 25010760]
−
{{#set: common name=methyl (indol-3-yl)acetate}}
+
* HMDB : HMDB60250
−
{{#set: molecular weight=189.213    }}
+
{{#set: smiles=CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(C(O)=C(OC)C=CC=1))C)C)C)C)C)C)C)C)C)C}}
−
{{#set: common name=IAA methyl ester|methyl IAA|MeIAA|indole-3-acetic acid methyl ester|methyl 2-(1H-indol-3-yl)acetate|methyl indole-3-acetate}}
+
{{#set: molecular weight=805.321    }}
−
{{#set: consumed by=RXN-10711}}
+
{{#set: inchi key=InChIKey=FYLLWSGFAAQKHU-GBBROCKZSA-N}}
 +
{{#set: common name=2-methoxy-6-(all-trans-decaprenyl)phenol}}
 +
{{#set: consumed by=RXN-9234}}

Latest revision as of 17:24, 9 January 2019

Metabolite CPD-9865

  • smiles:
    • CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(C(O)=C(OC)C=CC=1))C)C)C)C)C)C)C)C)C)C
  • molecular weight:
    • 805.321
  • inchi key:
    • InChIKey=FYLLWSGFAAQKHU-GBBROCKZSA-N
  • common name:
    • 2-methoxy-6-(all-trans-decaprenyl)phenol
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CHEBI:
  • METABOLIGHTS : MTBLC50774
  • PUBCHEM:
  • HMDB : HMDB60250



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