Difference between revisions of "RXN-10039"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD1G-1346 CPD1G-1346] == * smiles: ** CCCCCCCCCCCCCCCCCCCCCCCCCCC(C(OCC1(OC(C(C(C1O)O)O)OC2(C(...")
 
(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=CPD1G-1346 CPD1G-1346] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-8610 CPD-8610] ==
 
* smiles:
 
* smiles:
** CCCCCCCCCCCCCCCCCCCCCCCCCCC(C(OCC1(OC(C(C(C1O)O)O)OC2(C(C(C(C(O2)CO)O)O)O)))=O)C(O)CCCCCCCCCCCCCCCC3(CC3C(C)CCCCCCCCCCCCCCCC(OC)C(C)CCCCCCCCCCCCCCCCCC)
+
** 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=AMROMUFVHNPOEQ-BZZONOHYSA-N
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** InChIKey=FYHRVINOXYETMN-QGBOJXOESA-N
 
* common name:
 
* common name:
** trehalose-trans-methoxy-mono-mycolate
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** 4,4-dimethyl-5α-cholesta-8-en-3-β-ol
 
* molecular weight:
 
* molecular weight:
** 1592.571    
+
** 414.713    
 
* Synonym(s):
 
* Synonym(s):
  
 
== 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 ==
* [[RXN1G-1437]]
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* [[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=90659103 90659103]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=12070223 12070223]
{{#set: smiles=CCCCCCCCCCCCCCCCCCCCCCCCCCC(C(OCC1(OC(C(C(C1O)O)O)OC2(C(C(C(C(O2)CO)O)O)O)))=O)C(O)CCCCCCCCCCCCCCCC3(CC3C(C)CCCCCCCCCCCCCCCC(OC)C(C)CCCCCCCCCCCCCCCCCC)}}
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* CHEMSPIDER:
{{#set: inchi key=InChIKey=AMROMUFVHNPOEQ-BZZONOHYSA-N}}
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** [http://www.chemspider.com/Chemical-Structure.10474091.html 10474091]
{{#set: common name=trehalose-trans-methoxy-mono-mycolate}}
+
* LIGAND-CPD:
{{#set: molecular weight=1592.571   }}
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** [http://www.genome.jp/dbget-bin/www_bget?C15915 C15915]
{{#set: produced by=RXN1G-1437}}
+
* HMDB : HMDB06840
 +
{{#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=FYHRVINOXYETMN-QGBOJXOESA-N}}
 +
{{#set: common name=4,4-dimethyl-5α-cholesta-8-en-3-β-ol}}
 +
{{#set: molecular weight=414.713   }}
 +
{{#set: produced by=RXN66-14}}

Revision as of 16:50, 10 January 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.