Difference between revisions of "CPD-8610"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=L-PANTOATE L-PANTOATE] == * smiles: ** CC(C)(CO)C(C([O-])=O)O * inchi key: ** InChIKey=OTOIIPJY...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-8610 CPD-8610] == * smiles: ** CC(C)CCCC([CH]4(C1(C)([CH](C2(=C(CC1)C3(C)([CH](CC2)C(C)(C)C...")
 
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=L-PANTOATE L-PANTOATE] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-8610 CPD-8610] ==
 
* smiles:
 
* smiles:
** CC(C)(CO)C(C([O-])=O)O
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** CC(C)CCCC([CH]4(C1(C)([CH](C2(=C(CC1)C3(C)([CH](CC2)C(C)(C)C(O)CC3)))CC4)))C
 
* inchi key:
 
* inchi key:
** InChIKey=OTOIIPJYVQJATP-BYPYZUCNSA-M
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** InChIKey=FYHRVINOXYETMN-QGBOJXOESA-N
 
* common name:
 
* common name:
** (R)-pantoate
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** 4,4-dimethyl-5α-cholesta-8-en-3-β-ol
 
* molecular weight:
 
* molecular weight:
** 147.15    
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** 414.713    
 
* Synonym(s):
 
* Synonym(s):
** pantoate
 
** L-pantoate
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[PANTOATE-BETA-ALANINE-LIG-RXN]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[2-DEHYDROPANTOATE-REDUCT-RXN]]
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* [[RXN66-14]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* CAS : 470-29-1
 
* DRUGBANK : DB01930
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5289105 5289105]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=23427666 23427666]
* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C00522 C00522]
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* CHEMSPIDER:
 
* CHEMSPIDER:
** [http://www.chemspider.com/Chemical-Structure.4451134.html 4451134]
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** [http://www.chemspider.com/Chemical-Structure.10474091.html 10474091]
* CHEBI:
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* LIGAND-CPD:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15980 15980]
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** [http://www.genome.jp/dbget-bin/www_bget?C15915 C15915]
* BIGG : 35240
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* HMDB : HMDB06840
{{#set: smiles=CC(C)(CO)C(C([O-])=O)O}}
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{{#set: smiles=CC(C)CCCC([CH]4(C1(C)([CH](C2(=C(CC1)C3(C)([CH](CC2)C(C)(C)C(O)CC3)))CC4)))C}}
{{#set: inchi key=InChIKey=OTOIIPJYVQJATP-BYPYZUCNSA-M}}
+
{{#set: inchi key=InChIKey=FYHRVINOXYETMN-QGBOJXOESA-N}}
{{#set: common name=(R)-pantoate}}
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{{#set: common name=4,4-dimethyl-5α-cholesta-8-en-3-β-ol}}
{{#set: molecular weight=147.15   }}
+
{{#set: molecular weight=414.713   }}
{{#set: common name=pantoate|L-pantoate}}
+
{{#set: produced by=RXN66-14}}
{{#set: consumed by=PANTOATE-BETA-ALANINE-LIG-RXN}}
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{{#set: produced by=2-DEHYDROPANTOATE-REDUCT-RXN}}
+

Latest revision as of 19:34, 21 March 2018

Metabolite CPD-8610

  • smiles:
    • CC(C)CCCC([CH]4(C1(C)([CH](C2(=C(CC1)C3(C)([CH](CC2)C(C)(C)C(O)CC3)))CC4)))C
  • inchi key:
    • InChIKey=FYHRVINOXYETMN-QGBOJXOESA-N
  • common name:
    • 4,4-dimethyl-5α-cholesta-8-en-3-β-ol
  • molecular weight:
    • 414.713
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC(C)CCCC([CH]4(C1(C)([CH](C2(=C(CC1)C3(C)([CH](CC2)C(C)(C)C(O)CC3)))CC4)))C" cannot be used as a page name in this wiki.