Difference between revisions of "CPD-9038"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7418 CPD-7418] == * smiles: ** C(C=CC1(=C(C=CC=C1)O))(=O)[O-] * inchi key: ** InChIKey=PMOW...")
 
 
(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-7418 CPD-7418] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-9038 CPD-9038] ==
 
* smiles:
 
* smiles:
** C(C=CC1(=C(C=CC=C1)O))(=O)[O-]
+
** CC3(C4(=CC5(=C(C(CCC([O-])=O)=C(CC1(=C(CCC([O-])=O)C(CC(=O)[O-])=C(N1)CC2(NC(=C(CC([O-])=O)C=2CCC([O-])=O)CC(C3CCC(=O)[O-])=N4)))N5)CC([O-])=O)))(CC([O-])=O)
 +
* molecular weight:
 +
** 842.768   
 
* inchi key:
 
* inchi key:
** InChIKey=PMOWTIHVNWZYFI-WAYWQWQTSA-M
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** InChIKey=CJLVUWULFKHGFB-NZCAJUPMSA-F
 
* common name:
 
* common name:
** coumarinate
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** precorrin-1
* molecular weight:
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** 163.152   
+
 
* Synonym(s):
 
* Synonym(s):
** coumarinic acid
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-8675]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-8036]]
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* [[UROPORIIIMETHYLTRANSA-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 +
* CHEBI:
 +
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58893 58893]
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=54714352 54714352]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25245954 25245954]
* HMDB : HMDB41592
+
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C05838 C05838]
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** [http://www.genome.jp/dbget-bin/www_bget?C15527 C15527]
* CHEMSPIDER:
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{{#set: smiles=CC3(C4(=CC5(=C(C(CCC([O-])=O)=C(CC1(=C(CCC([O-])=O)C(CC(=O)[O-])=C(N1)CC2(NC(=C(CC([O-])=O)C=2CCC([O-])=O)CC(C3CCC(=O)[O-])=N4)))N5)CC([O-])=O)))(CC([O-])=O)}}
** [http://www.chemspider.com/Chemical-Structure.20118034.html 20118034]
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{{#set: molecular weight=842.768    }}
* CHEBI:
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{{#set: inchi key=InChIKey=CJLVUWULFKHGFB-NZCAJUPMSA-F}}
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=47921 47921]
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{{#set: common name=precorrin-1}}
* METABOLIGHTS : MTBLC47921
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{{#set: consumed by=RXN-8675}}
{{#set: smiles=C(C=CC1(=C(C=CC=C1)O))(=O)[O-]}}
+
{{#set: produced by=UROPORIIIMETHYLTRANSA-RXN}}
{{#set: inchi key=InChIKey=PMOWTIHVNWZYFI-WAYWQWQTSA-M}}
+
{{#set: common name=coumarinate}}
+
{{#set: molecular weight=163.152    }}
+
{{#set: common name=coumarinic acid}}
+
{{#set: produced by=RXN-8036}}
+

Latest revision as of 16:21, 9 January 2019

Metabolite CPD-9038

  • smiles:
    • CC3(C4(=CC5(=C(C(CCC([O-])=O)=C(CC1(=C(CCC([O-])=O)C(CC(=O)[O-])=C(N1)CC2(NC(=C(CC([O-])=O)C=2CCC([O-])=O)CC(C3CCC(=O)[O-])=N4)))N5)CC([O-])=O)))(CC([O-])=O)
  • molecular weight:
    • 842.768
  • inchi key:
    • InChIKey=CJLVUWULFKHGFB-NZCAJUPMSA-F
  • common name:
    • precorrin-1
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC3(C4(=CC5(=C(C(CCC([O-])=O)=C(CC1(=C(CCC([O-])=O)C(CC(=O)[O-])=C(N1)CC2(NC(=C(CC([O-])=O)C=2CCC([O-])=O)CC(C3CCC(=O)[O-])=N4)))N5)CC([O-])=O)))(CC([O-])=O)" cannot be used as a page name in this wiki.