Difference between revisions of "CPD66-27"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-OXOPALMITOYL-COA 3-OXOPALMITOYL-COA] == * smiles: ** CCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O...")
 
 
(2 intermediate revisions by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-OXOPALMITOYL-COA 3-OXOPALMITOYL-COA] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD66-27 CPD66-27] ==
 
* smiles:
 
* smiles:
−
** CCCCCCCCCCCCCC(=O)CC(=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(=O)C4(O)(CCC2(C(C)(CCC1(C3(C)(C(=CCC12)CC(=O)CC3)))4))
 +
* molecular weight:
 +
** 330.466   
 
* inchi key:
 
* inchi key:
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** InChIKey=NQMPLXPCRJOSHL-BBECNAHFSA-J
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** InChIKey=RCFJDVCRANOZEL-UHFFFAOYSA-N
 
* common name:
 
* common name:
−
** 3-oxo-palmitoyl-CoA
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** pregn-5-ene-3,20-dione-17-ol
−
* molecular weight:
+
−
** 1015.898   
+
 
* Synonym(s):
 
* Synonym(s):
−
** 3-keto-palmitoyl-CoA
 
−
** 3-oxohexadecanoyl-CoA
 
  
 
== 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 ==
−
* [[RXN-14271]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[RXN66-350]]
 
== External links  ==
 
== External links  ==
−
* BIGG : 3ohdcoa
 
 
* PUBCHEM:
 
* PUBCHEM:
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25244191 25244191]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=14562950 14562950]
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* HMDB : HMDB06402
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{{#set: smiles=CC(=O)C4(O)(CCC2(C(C)(CCC1(C3(C)(C(=CCC12)CC(=O)CC3)))4))}}
−
* LIGAND-CPD:
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{{#set: molecular weight=330.466    }}
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** [http://www.genome.jp/dbget-bin/www_bget?C05259 C05259]
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{{#set: inchi key=InChIKey=RCFJDVCRANOZEL-UHFFFAOYSA-N}}
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* CHEBI:
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{{#set: common name=pregn-5-ene-3,20-dione-17-ol}}
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57349 57349]
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{{#set: reversible reaction associated=RXN66-350}}
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* METABOLIGHTS : MTBLC57349
+
−
{{#set: smiles=CCCCCCCCCCCCCC(=O)CC(=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: inchi key=InChIKey=NQMPLXPCRJOSHL-BBECNAHFSA-J}}
+
−
{{#set: common name=3-oxo-palmitoyl-CoA}}
+
−
{{#set: molecular weight=1015.898    }}
+
−
{{#set: common name=3-keto-palmitoyl-CoA|3-oxohexadecanoyl-CoA}}
+
−
{{#set: produced by=RXN-14271}}
+

Latest revision as of 15:05, 9 January 2019

Metabolite CPD66-27

  • smiles:
    • CC(=O)C4(O)(CCC2(C(C)(CCC1(C3(C)(C(=CCC12)CC(=O)CC3)))4))
  • molecular weight:
    • 330.466
  • inchi key:
    • InChIKey=RCFJDVCRANOZEL-UHFFFAOYSA-N
  • common name:
    • pregn-5-ene-3,20-dione-17-ol
  • Synonym(s):

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/ccrgem/index.php?title=CPD66-27&oldid=19805"