Difference between revisions of "CPD-7257"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-9965 CPD-9965] == * smiles: ** CCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(...")
(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...")
 
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-9965 CPD-9965] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7257 CPD-7257] ==
 
* smiles:
 
* smiles:
−
** CCCCCCCCCCCCCCCCCCCC(=O)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-]
+
** 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:
 
* common name:
−
** icosanoyl-CoA
+
** 3α,7α,12α-trihydroxy-24-oxo-5-β-cholestanoyl CoA
 
* inchi key:
 
* inchi key:
−
** InChIKey=JYLSVNBJLYCSSW-IBYUJNRCSA-J
+
** InChIKey=AWLXQJGPNLCTLM-YFXOTMPNSA-J
 
* molecular weight:
 
* molecular weight:
−
** 1058.022    
+
** 1210.128    
 
* Synonym(s):
 
* Synonym(s):
−
** eicosanoyl-CoA
+
** 3-α,7-α,12-α-trihydroxy-24-oxo-5-β-cholestanoyl CoA
−
** arachidoyl-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 consume the compound ==
−
* [[RXN-13295]]
+
* [[2.3.1.176-RXN]]
−
* [[RXN-9629]]
+
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-13306]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[RXN1G-460]]
 
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25203411 25203411]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266665 45266665]
−
* HMDB : HMDB04258
+
* HMDB : HMDB06891
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57380 57380]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58507 58507]
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C02041 C02041]
+
** [http://www.genome.jp/dbget-bin/www_bget?C05467 C05467]
−
{{#set: smiles=CCCCCCCCCCCCCCCCCCCC(=O)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-]}}
+
{{#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=icosanoyl-CoA}}
+
{{#set: common name=3α,7α,12α-trihydroxy-24-oxo-5-β-cholestanoyl CoA}}
−
{{#set: inchi key=InChIKey=JYLSVNBJLYCSSW-IBYUJNRCSA-J}}
+
{{#set: inchi key=InChIKey=AWLXQJGPNLCTLM-YFXOTMPNSA-J}}
−
{{#set: molecular weight=1058.022   }}
+
{{#set: molecular weight=1210.128   }}
−
{{#set: common name=eicosanoyl-CoA|arachidoyl-CoA}}
+
{{#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=RXN-13295|RXN-9629}}
+
{{#set: consumed by=2.3.1.176-RXN}}
−
{{#set: produced by=RXN-13306}}
+
−
{{#set: reversible reaction associated=RXN1G-460}}
+

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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