Difference between revisions of "CPD-13695"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-713 CPD-713] == * smiles: ** CC(C)C(C)CCC(C)[CH]3(CC[CH]4([CH]2(CC(=O)[CH]1(CC(O)CCC(C)1[CH...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13695 CPD-13695] == * smiles: ** CC(CCC(=O)C(C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O...")
 
(2 intermediate revisions by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-713 CPD-713] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13695 CPD-13695] ==
 
* smiles:
 
* smiles:
** CC(C)C(C)CCC(C)[CH]3(CC[CH]4([CH]2(CC(=O)[CH]1(CC(O)CCC(C)1[CH]2CCC(C)34))))
+
** CC(CCC(=O)C(C(=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-])C)[CH]6(CC[CH]7([CH]5(CCC4(=CC(=O)CCC(C)4[CH]5CCC(C)67))))
* inchi key:
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** InChIKey=NBJZGNFIZZWBOJ-JSHJXQBASA-N
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* common name:
 
* common name:
** 6-oxocampestanol
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** 3,24-dioxocholest-4-en-26-oyl-CoA
 +
* inchi key:
 +
** InChIKey=ZVFUUGBGZMBUAN-KZNRQMKSSA-J
 
* molecular weight:
 
* molecular weight:
** 416.686    
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** 1174.098    
 
* Synonym(s):
 
* Synonym(s):
** oxocampestanol
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** cholest-4-en--3,24,dione-26-oyl-CoA
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-715]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-12705]]
 
== 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=16061347 16061347]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=102515485 102515485]
* CHEBI:
+
{{#set: smiles=CC(CCC(=O)C(C(=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-])C)[CH]6(CC[CH]7([CH]5(CCC4(=CC(=O)CCC(C)4[CH]5CCC(C)67))))}}
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=20747 20747]
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{{#set: common name=3,24-dioxocholest-4-en-26-oyl-CoA}}
* LIGAND-CPD:
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{{#set: inchi key=InChIKey=ZVFUUGBGZMBUAN-KZNRQMKSSA-J}}
** [http://www.genome.jp/dbget-bin/www_bget?C15789 C15789]
+
{{#set: molecular weight=1174.098   }}
{{#set: smiles=CC(C)C(C)CCC(C)[CH]3(CC[CH]4([CH]2(CC(=O)[CH]1(CC(O)CCC(C)1[CH]2CCC(C)34))))}}
+
{{#set: common name=cholest-4-en--3,24,dione-26-oyl-CoA}}
{{#set: inchi key=InChIKey=NBJZGNFIZZWBOJ-JSHJXQBASA-N}}
+
{{#set: produced by=RXN-12705}}
{{#set: common name=6-oxocampestanol}}
+
{{#set: molecular weight=416.686   }}
+
{{#set: common name=oxocampestanol}}
+
{{#set: consumed by=RXN-715}}
+

Latest revision as of 21:07, 21 March 2018

Metabolite CPD-13695

  • smiles:
    • CC(CCC(=O)C(C(=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-])C)[CH]6(CC[CH]7([CH]5(CCC4(=CC(=O)CCC(C)4[CH]5CCC(C)67))))
  • common name:
    • 3,24-dioxocholest-4-en-26-oyl-CoA
  • inchi key:
    • InChIKey=ZVFUUGBGZMBUAN-KZNRQMKSSA-J
  • molecular weight:
    • 1174.098
  • Synonym(s):
    • cholest-4-en--3,24,dione-26-oyl-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(=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-])C)[CH]6(CC[CH]7([CH]5(CCC4(=CC(=O)CCC(C)4[CH]5CCC(C)67))))" cannot be used as a page name in this wiki.