Difference between revisions of "CPD-696"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-676 CPD-676] == * smiles: ** C([O-])(=O)C=CC1(C=C(O)C(O)=CC=1) * inchi key: ** InChIKey=QAI...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-696 CPD-696] == * smiles: ** CC(C)C(=C)CCC(C)[CH]3(CCC4(C)([CH]1(CC[CH]5(C(C)(C)C(O)CCC2(CC...")
 
(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-676 CPD-676] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-696 CPD-696] ==
 
* smiles:
 
* smiles:
−
** C([O-])(=O)C=CC1(C=C(O)C(O)=CC=1)
+
** CC(C)C(=C)CCC(C)[CH]3(CCC4(C)([CH]1(CC[CH]5(C(C)(C)C(O)CCC2(CC12CCC(C)34)5))))
−
* inchi key:
+
−
** InChIKey=QAIPRVGONGVQAS-DUXPYHPUSA-M
+
 
* common name:
 
* common name:
−
** trans-caffeate
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** 24-methylenecycloartanol
 +
* inchi key:
 +
** InChIKey=BDHQMRXFDYJGII-XPNRYQHYSA-N
 
* molecular weight:
 
* molecular weight:
−
** 179.152    
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** 440.751    
 
* Synonym(s):
 
* Synonym(s):
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** trans-caffeic acid
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** 24(28)-methylenecycloartanol
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** 3,4-dihydroxy-trans-cinnamate
+
−
** (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-1126]]
 
−
* [[RXN-1104]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-4021]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=54691412 54691412]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=21157981 21157981]
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* HMDB : HMDB03501
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* LIGAND-CPD:
 
* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C01197 C01197]
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** [http://www.genome.jp/dbget-bin/www_bget?C08830 C08830]
−
* CHEMSPIDER:
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{{#set: smiles=CC(C)C(=C)CCC(C)[CH]3(CCC4(C)([CH]1(CC[CH]5(C(C)(C)C(O)CCC2(CC12CCC(C)34)5))))}}
−
** [http://www.chemspider.com/Chemical-Structure.4450294.html 4450294]
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{{#set: common name=24-methylenecycloartanol}}
−
* CHEBI:
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{{#set: inchi key=InChIKey=BDHQMRXFDYJGII-XPNRYQHYSA-N}}
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57770 57770]
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{{#set: molecular weight=440.751   }}
−
* METABOLIGHTS : MTBLC57770
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{{#set: common name=24(28)-methylenecycloartanol}}
−
{{#set: smiles=C([O-])(=O)C=CC1(C=C(O)C(O)=CC=1)}}
+
{{#set: produced by=RXN-4021}}
−
{{#set: inchi key=InChIKey=QAIPRVGONGVQAS-DUXPYHPUSA-M}}
+
−
{{#set: common name=trans-caffeate}}
+
−
{{#set: molecular weight=179.152   }}
+
−
{{#set: common name=trans-caffeic acid|3,4-dihydroxy-trans-cinnamate|(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid}}
+
−
{{#set: consumed by=RXN-1126|RXN-1104}}
+

Latest revision as of 21:14, 21 March 2018

Metabolite CPD-696

  • smiles:
    • CC(C)C(=C)CCC(C)[CH]3(CCC4(C)([CH]1(CC[CH]5(C(C)(C)C(O)CCC2(CC12CCC(C)34)5))))
  • common name:
    • 24-methylenecycloartanol
  • inchi key:
    • InChIKey=BDHQMRXFDYJGII-XPNRYQHYSA-N
  • molecular weight:
    • 440.751
  • Synonym(s):
    • 24(28)-methylenecycloartanol

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC(C)C(=C)CCC(C)[CH]3(CCC4(C)([CH]1(CC[CH]5(C(C)(C)C(O)CCC2(CC12CCC(C)34)5))))" cannot be used as a page name in this wiki.



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