Difference between revisions of "CPD-7257"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=APIGENIN APIGENIN] == * smiles: ** C2(C(C=CC(C1(C(=CC(=CC(O)=1)O)O))=O)=CC=C(C=2)O) * inchi key...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7257 CPD-7257] == * smiles: ** CC(CCC(=O)C(C)C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(O...")
 
(3 intermediate revisions by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=APIGENIN APIGENIN] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7257 CPD-7257] ==
 
* smiles:
 
* smiles:
−
** C2(C(C=CC(C1(C(=CC(=CC(O)=1)O)O))=O)=CC=C(C=2)O)
+
** CC(CCC(=O)C(C)C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O)[CH]4(CC[CH]5(C(C)4C(O)C[CH]6([CH]5C(O)C[CH]7(C(C)6CCC(O)C7))))
−
* inchi key:
+
−
** InChIKey=YQHMWTPYORBCMF-ZZXKWVIFSA-N
+
 
* common name:
 
* common name:
−
** 2',4,4',6'-tetrahydroxychalcone
+
** 3α,7α,12α-trihydroxy-24-oxo-5-β-cholestanoyl CoA
 +
* inchi key:
 +
** InChIKey=AWLXQJGPNLCTLM-YFXOTMPNSA-J
 
* molecular weight:
 
* molecular weight:
−
** 272.257    
+
** 1210.128    
 
* Synonym(s):
 
* Synonym(s):
−
** naringenin chalcone
+
** 3-α,7-α,12-α-trihydroxy-24-oxo-5-β-cholestanoyl CoA
−
** chalconaringenin
+
** 3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholestanoyl-CoA
−
** 2'4'6'4-Tetrahydroxychalcone
+
** 3alpha,7alpha,12alpha-trihydroxy-5beta-24-oxocholestanoyl-CoA
−
** Isosalipurpol
+
** 3α,7α,12α-trihydroxy-5β-cholest-24-one-CoA
−
** tetrahydroxychalcone
+
** 24-keto,(25R)-trihydroxycholestanoyl-CoA
−
** 3-(4-hydroxyphemyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[APIGNAR-RXN]]
+
* [[2.3.1.176-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
−
* CAS : 73692-50-9
 
−
* LIPID_MAPS : LMPK12120264
 
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5280960 5280960]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266665 45266665]
−
* HMDB : HMDB29631
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* HMDB : HMDB06891
−
* LIGAND-CPD:
+
−
** [http://www.genome.jp/dbget-bin/www_bget?C06561 C06561]
+
−
* CHEMSPIDER:
+
−
** [http://www.chemspider.com/Chemical-Structure.4444447.html 4444447]
+
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15413 15413]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58507 58507]
−
* METABOLIGHTS : MTBLC15413
+
* LIGAND-CPD:
−
{{#set: smiles=C2(C(C=CC(C1(C(=CC(=CC(O)=1)O)O))=O)=CC=C(C=2)O)}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C05467 C05467]
−
{{#set: inchi key=InChIKey=YQHMWTPYORBCMF-ZZXKWVIFSA-N}}
+
{{#set: smiles=CC(CCC(=O)C(C)C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O)[CH]4(CC[CH]5(C(C)4C(O)C[CH]6([CH]5C(O)C[CH]7(C(C)6CCC(O)C7))))}}
−
{{#set: common name=2',4,4',6'-tetrahydroxychalcone}}
+
{{#set: common name=3α,7α,12α-trihydroxy-24-oxo-5-β-cholestanoyl CoA}}
−
{{#set: molecular weight=272.257   }}
+
{{#set: inchi key=InChIKey=AWLXQJGPNLCTLM-YFXOTMPNSA-J}}
−
{{#set: common name=naringenin chalcone|chalconaringenin|2'4'6'4-Tetrahydroxychalcone|Isosalipurpol|tetrahydroxychalcone|3-(4-hydroxyphemyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one}}
+
{{#set: molecular weight=1210.128   }}
−
{{#set: consumed by=APIGNAR-RXN}}
+
{{#set: common name=3-α,7-α,12-α-trihydroxy-24-oxo-5-β-cholestanoyl CoA|3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholestanoyl-CoA|3alpha,7alpha,12alpha-trihydroxy-5beta-24-oxocholestanoyl-CoA|3α,7α,12α-trihydroxy-5β-cholest-24-one-CoA|24-keto,(25R)-trihydroxycholestanoyl-CoA}}
 +
{{#set: consumed by=2.3.1.176-RXN}}

Latest revision as of 20:19, 21 March 2018

Metabolite CPD-7257

  • smiles:
    • CC(CCC(=O)C(C)C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O)[CH]4(CC[CH]5(C(C)4C(O)C[CH]6([CH]5C(O)C[CH]7(C(C)6CCC(O)C7))))
  • common name:
    • 3α,7α,12α-trihydroxy-24-oxo-5-β-cholestanoyl CoA
  • inchi key:
    • InChIKey=AWLXQJGPNLCTLM-YFXOTMPNSA-J
  • molecular weight:
    • 1210.128
  • Synonym(s):
    • 3-α,7-α,12-α-trihydroxy-24-oxo-5-β-cholestanoyl CoA
    • 3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholestanoyl-CoA
    • 3alpha,7alpha,12alpha-trihydroxy-5beta-24-oxocholestanoyl-CoA
    • 3α,7α,12α-trihydroxy-5β-cholest-24-one-CoA
    • 24-keto,(25R)-trihydroxycholestanoyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC(CCC(=O)C(C)C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O)[CH]4(CC[CH]5(C(C)4C(O)C[CH]6([CH]5C(O)C[CH]7(C(C)6CCC(O)C7))))" cannot be used as a page name in this wiki.



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