Difference between revisions of "CPD1F-437"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-15685 CPD-15685] == * smiles: ** CCCCCCC=CC=CCC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD1F-437 CPD1F-437] == * smiles: ** C1(C=C(O)C(O)=CC=1C3(OC4(C=C([O-])C=C(O)C(C(=O)C(OC2(OC(CO...")
 
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-15685 CPD-15685] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD1F-437 CPD1F-437] ==
 
* smiles:
 
* smiles:
−
** CCCCCCC=CC=CCC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]
+
** C1(C=C(O)C(O)=CC=1C3(OC4(C=C([O-])C=C(O)C(C(=O)C(OC2(OC(CO)C(O)C(O)C(O)2))=3)=4)))
 
* inchi key:
 
* inchi key:
−
** InChIKey=XPVHXTGUZGACRU-MCFMHTHASA-J
+
** InChIKey=OVSQVDMCBVZWGM-QSOFNFLRSA-M
 
* common name:
 
* common name:
−
** 2-trans, 5-cis, 7-trans-tetradecatrienoyl-CoA
+
** quercetin-3-glucoside
 
* molecular weight:
 
* molecular weight:
−
** 967.814    
+
** 463.374    
 
* Synonym(s):
 
* Synonym(s):
−
** 2E, 5Z, 7E-tetradecatrienoyl-CoA
+
** quercetin-3-O-β-D-glucoside
 +
** isoquercetin
 +
** isoquercitrin
 +
** isotrifoliin
 +
** glucosyl 3-quercetin
  
 
== 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 ==
−
* [[RXN-14796]]
+
* [[RXN1F-462]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90657959 90657959]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25203368 25203368]
−
{{#set: smiles=CCCCCCC=CC=CCC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]}}
+
* CHEBI:
−
{{#set: inchi key=InChIKey=XPVHXTGUZGACRU-MCFMHTHASA-J}}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=28299 28299]
−
{{#set: common name=2-trans, 5-cis, 7-trans-tetradecatrienoyl-CoA}}
+
* LIGAND-CPD:
−
{{#set: molecular weight=967.814   }}
+
** [http://www.genome.jp/dbget-bin/www_bget?C05623 C05623]
−
{{#set: common name=2E, 5Z, 7E-tetradecatrienoyl-CoA}}
+
* HMDB : HMDB37362
−
{{#set: produced by=RXN-14796}}
+
{{#set: smiles=C1(C=C(O)C(O)=CC=1C3(OC4(C=C([O-])C=C(O)C(C(=O)C(OC2(OC(CO)C(O)C(O)C(O)2))=3)=4)))}}
 +
{{#set: inchi key=InChIKey=OVSQVDMCBVZWGM-QSOFNFLRSA-M}}
 +
{{#set: common name=quercetin-3-glucoside}}
 +
{{#set: molecular weight=463.374   }}
 +
{{#set: common name=quercetin-3-O-β-D-glucoside|isoquercetin|isoquercitrin|isotrifoliin|glucosyl 3-quercetin}}
 +
{{#set: produced by=RXN1F-462}}

Latest revision as of 20:57, 21 March 2018

Metabolite CPD1F-437

  • smiles:
    • C1(C=C(O)C(O)=CC=1C3(OC4(C=C([O-])C=C(O)C(C(=O)C(OC2(OC(CO)C(O)C(O)C(O)2))=3)=4)))
  • inchi key:
    • InChIKey=OVSQVDMCBVZWGM-QSOFNFLRSA-M
  • common name:
    • quercetin-3-glucoside
  • molecular weight:
    • 463.374
  • Synonym(s):
    • quercetin-3-O-β-D-glucoside
    • isoquercetin
    • isoquercitrin
    • isotrifoliin
    • glucosyl 3-quercetin

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C1(C=C(O)C(O)=CC=1C3(OC4(C=C([O-])C=C(O)C(C(=O)C(OC2(OC(CO)C(O)C(O)C(O)2))=3)=4)))" cannot be used as a page name in this wiki.



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