Difference between revisions of "CPD-15367"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-591 CPD-591] == * smiles: ** C3(C(C1(C(=CC2(=C([O-])C=C(O)C=C([O+]=1)2))[O-]))=CC(O)=C(C=3)...")
 
(One intermediate revision by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-591 CPD-591] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-15367 CPD-15367] ==
 
* smiles:
 
* smiles:
−
** C3(C(C1(C(=CC2(=C([O-])C=C(O)C=C([O+]=1)2))[O-]))=CC(O)=C(C=3)O)
+
** CCC=CCCC(O)CC=CCCCCCCCCCC(=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-]
 +
* molecular weight:
 +
** 1069.99   
 
* inchi key:
 
* inchi key:
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** InChIKey=VEVZSMAEJFVWIL-UHFFFAOYSA-M
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** InChIKey=YXBOBEUNDFMUCP-UBNAOBJYSA-J
 
* common name:
 
* common name:
−
** cyanidin
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** auricoloyl-CoA
−
* molecular weight:
+
−
** 285.232   
+
 
* Synonym(s):
 
* Synonym(s):
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** 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-1-Benzopyrylium
+
** (11Z,17Z)-14R-hydroxy-icosa-11,17-dienoyl-CoA
−
** 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromenylium
+
−
** 3,3',4',5,7-pentahydroxyflavylium
+
−
** cyanidol
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-9725]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[RXN-16157]]
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25202542 25202542]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=91820205 91820205]
−
* CHEBI:
+
{{#set: smiles=CCC=CCCC(O)CC=CCCCCCCCCCC(=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-]}}
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=71682 71682]
+
{{#set: molecular weight=1069.99    }}
−
* LIGAND-CPD:
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{{#set: inchi key=InChIKey=YXBOBEUNDFMUCP-UBNAOBJYSA-J}}
−
** [http://www.genome.jp/dbget-bin/www_bget?C05905 C05905]
+
{{#set: common name=auricoloyl-CoA}}
−
* HMDB : HMDB02708
+
{{#set: common name=(11Z,17Z)-14R-hydroxy-icosa-11,17-dienoyl-CoA}}
−
{{#set: smiles=C3(C(C1(C(=CC2(=C([O-])C=C(O)C=C([O+]=1)2))[O-]))=CC(O)=C(C=3)O)}}
+
{{#set: reversible reaction associated=RXN-16157}}
−
{{#set: inchi key=InChIKey=VEVZSMAEJFVWIL-UHFFFAOYSA-M}}
+
−
{{#set: common name=cyanidin}}
+
−
{{#set: molecular weight=285.232    }}
+
−
{{#set: common name=2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-1-Benzopyrylium|2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromenylium|3,3',4',5,7-pentahydroxyflavylium|cyanidol}}
+
−
{{#set: consumed by=RXN-9725}}
+

Latest revision as of 16:37, 9 January 2019

Metabolite CPD-15367

  • smiles:
    • CCC=CCCC(O)CC=CCCCCCCCCCC(=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-]
  • molecular weight:
    • 1069.99
  • inchi key:
    • InChIKey=YXBOBEUNDFMUCP-UBNAOBJYSA-J
  • common name:
    • auricoloyl-CoA
  • Synonym(s):
    • (11Z,17Z)-14R-hydroxy-icosa-11,17-dienoyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCC=CCCC(O)CC=CCCCCCCCCCC(=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-" cannot be used as a page name in this wiki.



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