Difference between revisions of "CPD-8614"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7845 CPD-7845] == * smiles: ** CCCCCCCCCCCCCCCCCCCCCCO * common name: ** 1-docosanol * inch...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-8614 CPD-8614] == * smiles: ** CC(C)CCCC([CH]4(C1(C)([CH](C2(=C(CC1)C3(C)([CH](CC2)C(C)C(=O...")
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7845 CPD-7845] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-8614 CPD-8614] ==
 
* smiles:
 
* smiles:
** CCCCCCCCCCCCCCCCCCCCCCO
+
** CC(C)CCCC([CH]4(C1(C)([CH](C2(=C(CC1)C3(C)([CH](CC2)C(C)C(=O)CC3)))CC4)))C
* common name:
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** 1-docosanol
+
 
* inchi key:
 
* inchi key:
** InChIKey=NOPFSRXAKWQILS-UHFFFAOYSA-N
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** InChIKey=SDZUXFFGOQZLPK-SINUOACOSA-N
 +
* common name:
 +
** 4α-methyl-5α-cholesta-8-en-3-one
 
* molecular weight:
 
* molecular weight:
** 326.605    
+
** 398.671    
 
* Synonym(s):
 
* Synonym(s):
** n-docosanol
 
** docosyl alcohol
 
** docosan-1-ol
 
** behenic alcohol
 
** behenyl alcohol
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-9344-CPD-10279/NADPH/PROTON//CPD-7845/CO-A/NADP.43.]]
+
* [[RXN66-18]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* LIPID_MAPS : LMFA05000008
 
* DRUGBANK : DB00632
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=12620 12620]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=44263323 44263323]
* HMDB : HMDB14770
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* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?D03884 D03884]
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* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.12100.html 12100]
+
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=31000 31000]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=87050 87050]
{{#set: smiles=CCCCCCCCCCCCCCCCCCCCCCO}}
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* HMDB : HMDB12174
{{#set: common name=1-docosanol}}
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{{#set: smiles=CC(C)CCCC([CH]4(C1(C)([CH](C2(=C(CC1)C3(C)([CH](CC2)C(C)C(=O)CC3)))CC4)))C}}
{{#set: inchi key=InChIKey=NOPFSRXAKWQILS-UHFFFAOYSA-N}}
+
{{#set: inchi key=InChIKey=SDZUXFFGOQZLPK-SINUOACOSA-N}}
{{#set: molecular weight=326.605    }}
+
{{#set: common name=4α-methyl-5α-cholesta-8-en-3-one}}
{{#set: common name=n-docosanol|docosyl alcohol|docosan-1-ol|behenic alcohol|behenyl alcohol}}
+
{{#set: molecular weight=398.671    }}
{{#set: produced by=RXN-9344-CPD-10279/NADPH/PROTON//CPD-7845/CO-A/NADP.43.}}
+
{{#set: produced by=RXN66-18}}

Revision as of 15:19, 23 May 2018

Metabolite CPD-8614

  • smiles:
    • CC(C)CCCC([CH]4(C1(C)([CH](C2(=C(CC1)C3(C)([CH](CC2)C(C)C(=O)CC3)))CC4)))C
  • inchi key:
    • InChIKey=SDZUXFFGOQZLPK-SINUOACOSA-N
  • common name:
    • 4α-methyl-5α-cholesta-8-en-3-one
  • molecular weight:
    • 398.671
  • 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(=O)CC3)))CC4)))C" cannot be used as a page name in this wiki.