Difference between revisions of "CPD-8610"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14705 CPD-14705] == * smiles: ** CCCCCC(O)C(C[CH]=O)SCC([N+])C(=O)NCC([O-])=O * inchi key:...")
(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...")
 
(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-14705 CPD-14705] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-8610 CPD-8610] ==
 
* smiles:
 
* smiles:
** CCCCCC(O)C(C[CH]=O)SCC([N+])C(=O)NCC([O-])=O
+
** 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:
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** InChIKey=LQTWZQSULMRBEE-UHFFFAOYSA-N
+
 
* common name:
 
* common name:
** 4-hydroxy-2-nonenal-[Cys-Gly] conjugate
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** 4,4-dimethyl-5α-cholesta-8-en-3-β-ol
 +
* inchi key:
 +
** InChIKey=FYHRVINOXYETMN-QGBOJXOESA-N
 
* molecular weight:
 
* molecular weight:
** 334.43    
+
** 414.713    
 
* Synonym(s):
 
* Synonym(s):
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-13677]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN66-14]]
 
== 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=90659346 90659346]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=12070223 12070223]
{{#set: smiles=CCCCCC(O)C(C[CH]=O)SCC([N+])C(=O)NCC([O-])=O}}
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* CHEMSPIDER:
{{#set: inchi key=InChIKey=LQTWZQSULMRBEE-UHFFFAOYSA-N}}
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** [http://www.chemspider.com/Chemical-Structure.10474091.html 10474091]
{{#set: common name=4-hydroxy-2-nonenal-[Cys-Gly] conjugate}}
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* HMDB : HMDB06840
{{#set: molecular weight=334.43   }}
+
* LIGAND-CPD:
{{#set: consumed by=RXN-13677}}
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** [http://www.genome.jp/dbget-bin/www_bget?C15915 C15915]
 +
{{#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: common name=4,4-dimethyl-5α-cholesta-8-en-3-β-ol}}
 +
{{#set: inchi key=InChIKey=FYHRVINOXYETMN-QGBOJXOESA-N}}
 +
{{#set: molecular weight=414.713   }}
 +
{{#set: produced by=RXN66-14}}

Latest revision as of 19:55, 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
  • common name:
    • 4,4-dimethyl-5α-cholesta-8-en-3-β-ol
  • inchi key:
    • InChIKey=FYHRVINOXYETMN-QGBOJXOESA-N
  • 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.