Difference between revisions of "CPD-13227"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=DESMOSTEROL-CPD DESMOSTEROL-CPD] == * smiles: ** CC(C)=CCCC(C)[CH]1(CC[CH]2(C(C)1CC[CH]3([CH]2C...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13227 CPD-13227] == * smiles: ** CC(=O)NC1(C(O)OC(CO)C(C(O)1)OC2(C(NC(C)=O)C(O)C(C(CO)O2)OC...")
 
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=DESMOSTEROL-CPD DESMOSTEROL-CPD] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13227 CPD-13227] ==
 
* smiles:
 
* smiles:
−
** CC(C)=CCCC(C)[CH]1(CC[CH]2(C(C)1CC[CH]3([CH]2CC=C4(C(C)3CCC(O)C4))))
+
** CC(=O)NC1(C(O)OC(CO)C(C(O)1)OC2(C(NC(C)=O)C(O)C(C(CO)O2)OC3(OC(C(O)C(O)C(NC(C)=O)3)CO)))
 
* inchi key:
 
* inchi key:
−
** InChIKey=AVSXSVCZWQODGV-DPAQBDIFSA-N
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** InChIKey=WZZVUHWLNMNWLW-MEWKLCDLSA-N
 
* common name:
 
* common name:
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** desmosterol
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** chitotriose
 
* molecular weight:
 
* molecular weight:
−
** 384.644    
+
** 627.598    
 
* Synonym(s):
 
* Synonym(s):
−
** 24-dehydrocholesterol
+
** triacetylchitotriose
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** Δ5,24-cholestadien-3-β-ol
+
−
** desmesterol
+
  
 
== 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 ==
−
* [[RXN66-27]]
+
* [[RXN-12624]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
−
* CAS : 313-04-2
 
−
* LIPID_MAPS : LMST01010016
 
 
* PUBCHEM:
 
* PUBCHEM:
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=439577 439577]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=10930193 10930193]
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* HMDB : HMDB02719
+
−
* LIGAND-CPD:
+
−
** [http://www.genome.jp/dbget-bin/www_bget?C01802 C01802]
+
 
* CHEMSPIDER:
 
* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.388662.html 388662]
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** [http://www.chemspider.com/Chemical-Structure.392429.html 392429]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17737 17737]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=71404 71404]
−
* METABOLIGHTS : MTBLC17737
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{{#set: smiles=CC(=O)NC1(C(O)OC(CO)C(C(O)1)OC2(C(NC(C)=O)C(O)C(C(CO)O2)OC3(OC(C(O)C(O)C(NC(C)=O)3)CO)))}}
−
{{#set: smiles=CC(C)=CCCC(C)[CH]1(CC[CH]2(C(C)1CC[CH]3([CH]2CC=C4(C(C)3CCC(O)C4))))}}
+
{{#set: inchi key=InChIKey=WZZVUHWLNMNWLW-MEWKLCDLSA-N}}
−
{{#set: inchi key=InChIKey=AVSXSVCZWQODGV-DPAQBDIFSA-N}}
+
{{#set: common name=chitotriose}}
−
{{#set: common name=desmosterol}}
+
{{#set: molecular weight=627.598   }}
−
{{#set: molecular weight=384.644   }}
+
{{#set: common name=triacetylchitotriose}}
−
{{#set: common name=24-dehydrocholesterol|Δ5,24-cholestadien-3-β-ol|desmesterol}}
+
{{#set: produced by=RXN-12624}}
−
{{#set: produced by=RXN66-27}}
+

Latest revision as of 19:54, 21 March 2018

Metabolite CPD-13227

  • smiles:
    • CC(=O)NC1(C(O)OC(CO)C(C(O)1)OC2(C(NC(C)=O)C(O)C(C(CO)O2)OC3(OC(C(O)C(O)C(NC(C)=O)3)CO)))
  • inchi key:
    • InChIKey=WZZVUHWLNMNWLW-MEWKLCDLSA-N
  • common name:
    • chitotriose
  • molecular weight:
    • 627.598
  • Synonym(s):
    • triacetylchitotriose

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links




Retrieved from "http://gem-aureme.irisa.fr/ectogem/index.php?title=CPD-13227&oldid=30218"