Difference between revisions of "CPD-520"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13754 CPD-13754] == * smiles: ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCC1(C(=O)CCC2(C)(C(=O)CC[...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-520 CPD-520] == * smiles: ** C1(C=C(O)C(O)=CC=1C2(OC3(=C(C(=O)C=2[O-])C(O)=CC(O)=C3))) * in...")
 
(One intermediate revision by the same user not shown)
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13754 CPD-13754] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-520 CPD-520] ==
 
* smiles:
 
* smiles:
−
** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCC1(C(=O)CCC2(C)(C(=O)CC[CH]12)))COP(=O)(OP(=O)(OCC3(C(OP([O-])(=O)[O-])C(O)C(O3)N5(C4(=C(C(N)=NC=N4)N=C5))))[O-])[O-]
+
** C1(C=C(O)C(O)=CC=1C2(OC3(=C(C(=O)C=2[O-])C(O)=CC(O)=C3)))
 
* inchi key:
 
* inchi key:
−
** InChIKey=IWNWMTZIJPUDPV-MDQHZGBLSA-J
+
** InChIKey=REFJWTPEDVJJIY-UHFFFAOYSA-M
 
* common name:
 
* common name:
−
** 3-[(3aS,4S,7aS)-7a-methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoyl-CoA
+
** quercetin
 
* molecular weight:
 
* molecular weight:
−
** 983.77    
+
** 301.232    
 
* Synonym(s):
 
* Synonym(s):
−
** HIP-CoA
+
** 3,5,7,3',4'-pentahydroxyflavone
 +
** 3,5,7,3',4'-pentahydroflavone
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-12747]]
+
* [[RXN1F-462]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-527]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 +
* NCI:
 +
** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=9219 9219]
 +
* CAS : 117-39-5
 +
* Wikipedia : Quercetin
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=86289539 86289539]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=46906036 46906036]
 +
* HMDB : HMDB05794
 +
* LIGAND-CPD:
 +
** [http://www.genome.jp/dbget-bin/www_bget?C00389 C00389]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=78357 78357]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57694 57694]
−
{{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCC1(C(=O)CCC2(C)(C(=O)CC[CH]12)))COP(=O)(OP(=O)(OCC3(C(OP([O-])(=O)[O-])C(O)C(O3)N5(C4(=C(C(N)=NC=N4)N=C5))))[O-])[O-]}}
+
{{#set: smiles=C1(C=C(O)C(O)=CC=1C2(OC3(=C(C(=O)C=2[O-])C(O)=CC(O)=C3)))}}
−
{{#set: inchi key=InChIKey=IWNWMTZIJPUDPV-MDQHZGBLSA-J}}
+
{{#set: inchi key=InChIKey=REFJWTPEDVJJIY-UHFFFAOYSA-M}}
−
{{#set: common name=3-[(3aS,4S,7aS)-7a-methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoyl-CoA}}
+
{{#set: common name=quercetin}}
−
{{#set: molecular weight=983.77   }}
+
{{#set: molecular weight=301.232   }}
−
{{#set: common name=HIP-CoA}}
+
{{#set: common name=3,5,7,3',4'-pentahydroxyflavone|3,5,7,3',4'-pentahydroflavone}}
−
{{#set: consumed by=RXN-12747}}
+
{{#set: consumed by=RXN1F-462}}
 +
{{#set: produced by=RXN-527}}

Latest revision as of 20:58, 21 March 2018

Metabolite CPD-520

  • smiles:
    • C1(C=C(O)C(O)=CC=1C2(OC3(=C(C(=O)C=2[O-])C(O)=CC(O)=C3)))
  • inchi key:
    • InChIKey=REFJWTPEDVJJIY-UHFFFAOYSA-M
  • common name:
    • quercetin
  • molecular weight:
    • 301.232
  • Synonym(s):
    • 3,5,7,3',4'-pentahydroxyflavone
    • 3,5,7,3',4'-pentahydroflavone

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • NCI:
  • CAS : 117-39-5
  • Wikipedia : Quercetin
  • PUBCHEM:
  • HMDB : HMDB05794
  • LIGAND-CPD:
  • CHEBI:
"C1(C=C(O)C(O)=CC=1C2(OC3(=C(C(=O)C=2[O-])C(O)=CC(O)=C3)))" cannot be used as a page name in this wiki.




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