Difference between revisions of "CPD-12129"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=NARINGENIN-CMPD NARINGENIN-CMPD] == * smiles: ** C3(=C(C2(OC1(C(=C(C=C(C=1)O)O)C(C2)=O)))C=CC(=...")
 
 
(3 intermediate revisions by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=NARINGENIN-CMPD NARINGENIN-CMPD] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12129 CPD-12129] ==
 
* smiles:
 
* smiles:
−
** C3(=C(C2(OC1(C(=C(C=C(C=1)O)O)C(C2)=O)))C=CC(=C3)O)
+
** CC(=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(C(C)=C(O)C2(C=CC=CC(C(O)=1)=2)))C)C)C)C
 +
* molecular weight:
 +
** 991.617   
 
* inchi key:
 
* inchi key:
−
** InChIKey=FTVWIRXFELQLPI-ZDUSSCGKSA-N
+
** InChIKey=FWFJGQGPMZXTLM-WPPIEQSHSA-N
 
* common name:
 
* common name:
−
** (2S)-naringenin
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** menaquinol-12
−
* molecular weight:
+
−
** 272.257   
+
 
* Synonym(s):
 
* Synonym(s):
−
** (2S)-4',5,7-trihydroxyflavanone
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** MKH2-12
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** (2S)-5,7,4'-trihydroxyflavone
+
−
** (2S)-4',5,7-trihydroxyflavan-4-one
+
−
** (S)-naringenin
+
  
 
== 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 ==
−
* [[APIGNAR-RXN]]
+
* [[RXN-9363]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
−
* CAS : 480-41-1
 
−
* DRUGBANK : DB03467
 
−
* PUBCHEM:
 
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=439246 439246]
 
−
* HMDB : HMDB02670
 
−
* LIGAND-CPD:
 
−
** [http://www.genome.jp/dbget-bin/www_bget?C00509 C00509]
 
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17846 17846]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=84550 84550]
−
* METABOLIGHTS : MTBLC17846
+
* PUBCHEM:
−
{{#set: smiles=C3(=C(C2(OC1(C(=C(C=C(C=1)O)O)C(C2)=O)))C=CC(=C3)O)}}
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45479280 45479280]
−
{{#set: inchi key=InChIKey=FTVWIRXFELQLPI-ZDUSSCGKSA-N}}
+
{{#set: smiles=CC(=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(C(C)=C(O)C2(C=CC=CC(C(O)=1)=2)))C)C)C)C}}
−
{{#set: common name=(2S)-naringenin}}
+
{{#set: molecular weight=991.617    }}
−
{{#set: molecular weight=272.257    }}
+
{{#set: inchi key=InChIKey=FWFJGQGPMZXTLM-WPPIEQSHSA-N}}
−
{{#set: common name=(2S)-4',5,7-trihydroxyflavanone|(2S)-5,7,4'-trihydroxyflavone|(2S)-4',5,7-trihydroxyflavan-4-one|(S)-naringenin}}
+
{{#set: common name=menaquinol-12}}
−
{{#set: produced by=APIGNAR-RXN}}
+
{{#set: common name=MKH2-12}}
 +
{{#set: produced by=RXN-9363}}

Latest revision as of 15:44, 9 January 2019

Metabolite CPD-12129

  • smiles:
    • CC(=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(C(C)=C(O)C2(C=CC=CC(C(O)=1)=2)))C)C)C)C
  • molecular weight:
    • 991.617
  • inchi key:
    • InChIKey=FWFJGQGPMZXTLM-WPPIEQSHSA-N
  • common name:
    • menaquinol-12
  • Synonym(s):
    • MKH2-12

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links




Retrieved from "http://gem-aureme.irisa.fr/ccrgem/index.php?title=CPD-12129&oldid=20747"