Difference between revisions of "CPD-1834"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-720 CPD-720] == * smiles: ** CC(C)C(C)C(O)C(O)C(C)[CH]3(CC[CH]4([CH]2(CC[CH]1(CC(O)CCC(C)1[...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-1834 CPD-1834] == * smiles: ** CC(CCCC(C)C([O-])=O)[CH]1(CC[CH]2(C(C)1CC[CH]3([CH]2C(O)C[CH...")
 
(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-720 CPD-720] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-1834 CPD-1834] ==
 
* smiles:
 
* smiles:
** CC(C)C(C)C(O)C(O)C(C)[CH]3(CC[CH]4([CH]2(CC[CH]1(CC(O)CCC(C)1[CH]2CCC(C)34))))
+
** CC(CCCC(C)C([O-])=O)[CH]1(CC[CH]2(C(C)1CC[CH]3([CH]2C(O)C[CH]4(C(C)3CCC(O)C4))))
* inchi key:
+
** InChIKey=WPHVOXMMNSLJSF-DAWJDVIISA-N
+
 
* common name:
 
* common name:
** 6-deoxotyphasterol
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** (25R)-3α,7α-dihydroxy-5-β-cholestanate
 +
* inchi key:
 +
** InChIKey=ITZYGDKGRKKBSN-RXDNHGQQSA-M
 
* molecular weight:
 
* molecular weight:
** 434.701    
+
** 433.65    
 
* Synonym(s):
 
* Synonym(s):
** deoxotyphasterol
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** 3-α,7-α-dihydroxy-5-β-cholestanoate
 +
** 3-α,7-α-dihydroxy-5-β-cholestanate
 +
** (25R)-3α,7α-dihydroxy-5-β-cholestan-26-oate
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-4241]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-9844]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=16061346 16061346]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266753 45266753]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=20717 20717]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58750 58750]
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C15801 C15801]
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** [http://www.genome.jp/dbget-bin/www_bget?C04554 C04554]
{{#set: smiles=CC(C)C(C)C(O)C(O)C(C)[CH]3(CC[CH]4([CH]2(CC[CH]1(CC(O)CCC(C)1[CH]2CCC(C)34))))}}
+
{{#set: smiles=CC(CCCC(C)C([O-])=O)[CH]1(CC[CH]2(C(C)1CC[CH]3([CH]2C(O)C[CH]4(C(C)3CCC(O)C4))))}}
{{#set: inchi key=InChIKey=WPHVOXMMNSLJSF-DAWJDVIISA-N}}
+
{{#set: common name=(25R)-3α,7α-dihydroxy-5-β-cholestanate}}
{{#set: common name=6-deoxotyphasterol}}
+
{{#set: inchi key=InChIKey=ITZYGDKGRKKBSN-RXDNHGQQSA-M}}
{{#set: molecular weight=434.701   }}
+
{{#set: molecular weight=433.65   }}
{{#set: common name=deoxotyphasterol}}
+
{{#set: common name=3-α,7-α-dihydroxy-5-β-cholestanoate|3-α,7-α-dihydroxy-5-β-cholestanate|(25R)-3α,7α-dihydroxy-5-β-cholestan-26-oate}}
{{#set: consumed by=RXN-4241}}
+
{{#set: produced by=RXN-9844}}

Latest revision as of 19:53, 21 March 2018

Metabolite CPD-1834

  • smiles:
    • CC(CCCC(C)C([O-])=O)[CH]1(CC[CH]2(C(C)1CC[CH]3([CH]2C(O)C[CH]4(C(C)3CCC(O)C4))))
  • common name:
    • (25R)-3α,7α-dihydroxy-5-β-cholestanate
  • inchi key:
    • InChIKey=ITZYGDKGRKKBSN-RXDNHGQQSA-M
  • molecular weight:
    • 433.65
  • Synonym(s):
    • 3-α,7-α-dihydroxy-5-β-cholestanoate
    • 3-α,7-α-dihydroxy-5-β-cholestanate
    • (25R)-3α,7α-dihydroxy-5-β-cholestan-26-oate

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC(CCCC(C)C([O-])=O)[CH]1(CC[CH]2(C(C)1CC[CH]3([CH]2C(O)C[CH]4(C(C)3CCC(O)C4))))" cannot be used as a page name in this wiki.