Difference between revisions of "CPD-712"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=2-DEHYDROPANTOATE 2-DEHYDROPANTOATE] == * smiles: ** CC(C(=O)C([O-])=O)(CO)C * inchi key: ** In...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-712 CPD-712] == * smiles: ** CC(C)C(C)CC(O)C(C)[CH]3(CC[CH]4([CH]2(CC[CH]1(CC(O)CCC(C)1[CH]...")
 
(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=2-DEHYDROPANTOATE 2-DEHYDROPANTOATE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-712 CPD-712] ==
 
* smiles:
 
* smiles:
−
** CC(C(=O)C([O-])=O)(CO)C
+
** CC(C)C(C)CC(O)C(C)[CH]3(CC[CH]4([CH]2(CC[CH]1(CC(O)CCC(C)1[CH]2CCC(C)34))))
 
* inchi key:
 
* inchi key:
−
** InChIKey=PKVVTUWHANFMQC-UHFFFAOYSA-M
+
** InChIKey=ZHZKWZJLUNXOSN-YUZBOUAZSA-N
 
* common name:
 
* common name:
−
** 2-dehydropantoate
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** 6-deoxocathasterone
 
* molecular weight:
 
* molecular weight:
−
** 145.135    
+
** 418.702    
 
* Synonym(s):
 
* Synonym(s):
−
** ketopantoate
+
** deoxocathasterone
−
** 2-ketopantoate
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[2-DEHYDROPANTOATE-REDUCT-RXN]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-15635]]
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* [[RXN-773]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[3-CH3-2-OXOBUTANOATE-OH-CH3-XFER-RXN]]
 
 
== External links  ==
 
== External links  ==
−
* DRUGBANK : DB03795
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* LIPID_MAPS : LMST01030124
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=16755619 16755619]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25202530 25202530]
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* LIGAND-CPD:
+
−
** [http://www.genome.jp/dbget-bin/www_bget?C00966 C00966]
+
−
* CHEMSPIDER:
+
−
** [http://www.chemspider.com/Chemical-Structure.14649571.html 14649571]
+
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=11561 11561]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=20714 20714]
−
* BIGG : 36502
+
* LIGAND-CPD:
−
{{#set: smiles=CC(C(=O)C([O-])=O)(CO)C}}
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** [http://www.genome.jp/dbget-bin/www_bget?C15798 C15798]
−
{{#set: inchi key=InChIKey=PKVVTUWHANFMQC-UHFFFAOYSA-M}}
+
{{#set: smiles=CC(C)C(C)CC(O)C(C)[CH]3(CC[CH]4([CH]2(CC[CH]1(CC(O)CCC(C)1[CH]2CCC(C)34))))}}
−
{{#set: common name=2-dehydropantoate}}
+
{{#set: inchi key=InChIKey=ZHZKWZJLUNXOSN-YUZBOUAZSA-N}}
−
{{#set: molecular weight=145.135   }}
+
{{#set: common name=6-deoxocathasterone}}
−
{{#set: common name=ketopantoate|2-ketopantoate}}
+
{{#set: molecular weight=418.702   }}
−
{{#set: consumed by=2-DEHYDROPANTOATE-REDUCT-RXN}}
+
{{#set: common name=deoxocathasterone}}
−
{{#set: produced by=RXN-15635}}
+
{{#set: produced by=RXN-773}}
−
{{#set: consumed or produced by=3-CH3-2-OXOBUTANOATE-OH-CH3-XFER-RXN}}
+

Latest revision as of 19:18, 21 March 2018

Metabolite CPD-712

  • smiles:
    • CC(C)C(C)CC(O)C(C)[CH]3(CC[CH]4([CH]2(CC[CH]1(CC(O)CCC(C)1[CH]2CCC(C)34))))
  • inchi key:
    • InChIKey=ZHZKWZJLUNXOSN-YUZBOUAZSA-N
  • common name:
    • 6-deoxocathasterone
  • molecular weight:
    • 418.702
  • Synonym(s):
    • deoxocathasterone

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)CC(O)C(C)[CH]3(CC[CH]4([CH]2(CC[CH]1(CC(O)CCC(C)1[CH]2CCC(C)34))))" cannot be used as a page name in this wiki.



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