Difference between revisions of "CPD-1081"

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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...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-1081 CPD-1081] == * smiles: ** CC(C)CCCC(C)[CH]3(CC[CH]4([CH]2(CC[CH]1(CC(=O)CCC(C)1[CH]2CC...")
 
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-OXOPALMITOYL-COA 3-OXOPALMITOYL-COA] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-1081 CPD-1081] ==
 
* 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(C)CCCC(C)[CH]3(CC[CH]4([CH]2(CC[CH]1(CC(=O)CCC(C)1[CH]2CCC(C)34))))
 
* common name:
 
* common name:
−
** 3-oxo-palmitoyl-CoA
+
** 5α-cholestan-3-one
 
* inchi key:
 
* inchi key:
−
** InChIKey=NQMPLXPCRJOSHL-BBECNAHFSA-J
+
** InChIKey=PESKGJQREUXSRR-UXIWKSIVSA-N
 
* molecular weight:
 
* molecular weight:
−
** 1015.898    
+
** 386.66    
 
* 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 ==
−
* [[2.3.1.155-RXN]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-14271]]
 
−
* [[ACACT7m]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[ACACT7]]
+
* [[CHOLESTENONE-5-ALPHA-REDUCTASE-RXN]]
 
== External links  ==
 
== External links  ==
−
* BIGG : 3ohdcoa
+
* CAS : 566-88-1
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25244191 25244191]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=92128 92128]
−
* HMDB : HMDB06402
+
* HMDB : HMDB00871
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C05259 C05259]
+
** [http://www.genome.jp/dbget-bin/www_bget?C03238 C03238]
 +
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.83174.html 83174]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57349 57349]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17762 17762]
−
* METABOLIGHTS : MTBLC57349
+
{{#set: smiles=CC(C)CCCC(C)[CH]3(CC[CH]4([CH]2(CC[CH]1(CC(=O)CCC(C)1[CH]2CCC(C)34))))}}
−
{{#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: common name=5α-cholestan-3-one}}
−
{{#set: common name=3-oxo-palmitoyl-CoA}}
+
{{#set: inchi key=InChIKey=PESKGJQREUXSRR-UXIWKSIVSA-N}}
−
{{#set: inchi key=InChIKey=NQMPLXPCRJOSHL-BBECNAHFSA-J}}
+
{{#set: molecular weight=386.66   }}
−
{{#set: molecular weight=1015.898   }}
+
{{#set: reversible reaction associated=CHOLESTENONE-5-ALPHA-REDUCTASE-RXN}}
−
{{#set: common name=3-keto-palmitoyl-CoA|3-oxohexadecanoyl-CoA}}
+
−
{{#set: consumed by=2.3.1.155-RXN}}
+
−
{{#set: produced by=RXN-14271|ACACT7m}}
+
−
{{#set: reversible reaction associated=ACACT7}}
+

Latest revision as of 20:08, 21 March 2018

Metabolite CPD-1081

  • smiles:
    • CC(C)CCCC(C)[CH]3(CC[CH]4([CH]2(CC[CH]1(CC(=O)CCC(C)1[CH]2CCC(C)34))))
  • common name:
    • 5α-cholestan-3-one
  • inchi key:
    • InChIKey=PESKGJQREUXSRR-UXIWKSIVSA-N
  • molecular weight:
    • 386.66
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC(C)CCCC(C)[CH]3(CC[CH]4([CH]2(CC[CH]1(CC(=O)CCC(C)1[CH]2CCC(C)34))))" cannot be used as a page name in this wiki.



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