Difference between revisions of "3-OXOPALMITOYL-COA"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-786 CPD-786] == * smiles: ** C(CCC=CC(C([O-])=O)=O)([O-])=O * inchi key: ** InChIKey=HYVSZV...")
(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...")
 
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-786 CPD-786] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-OXOPALMITOYL-COA 3-OXOPALMITOYL-COA] ==
 
* smiles:
 
* smiles:
−
** C(CCC=CC(C([O-])=O)=O)([O-])=O
+
** 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-]
 
* inchi key:
 
* inchi key:
−
** InChIKey=HYVSZVZMTYIHKF-IWQZZHSRSA-L
+
** InChIKey=NQMPLXPCRJOSHL-BBECNAHFSA-J
 
* common name:
 
* common name:
−
** (4Z)-2-oxohept-4-enedioate
+
** 3-oxo-palmitoyl-CoA
 
* molecular weight:
 
* molecular weight:
−
** 170.121    
+
** 1015.898    
 
* Synonym(s):
 
* Synonym(s):
−
** OHED
+
** 3-keto-palmitoyl-CoA
−
** 2-oxo-hept-3-ene-1,7-dioate
+
** 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 ==
−
* [[RXN1K-87]]
 
 
== External links  ==
 
== External links  ==
 +
* BIGG : 45445
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5460000 5460000]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25244191 25244191]
−
* CHEMSPIDER:
+
* HMDB : HMDB06402
−
** [http://www.chemspider.com/Chemical-Structure.4573699.html 4573699]
+
−
* CHEBI:
+
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17205 17205]
+
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C03063 C03063]
+
** [http://www.genome.jp/dbget-bin/www_bget?C05259 C05259]
−
{{#set: smiles=C(CCC=CC(C([O-])=O)=O)([O-])=O}}
+
* CHEBI:
−
{{#set: inchi key=InChIKey=HYVSZVZMTYIHKF-IWQZZHSRSA-L}}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57349 57349]
−
{{#set: common name=(4Z)-2-oxohept-4-enedioate}}
+
* METABOLIGHTS : MTBLC57349
−
{{#set: molecular weight=170.121   }}
+
{{#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=OHED|2-oxo-hept-3-ene-1,7-dioate}}
+
{{#set: inchi key=InChIKey=NQMPLXPCRJOSHL-BBECNAHFSA-J}}
−
{{#set: reversible reaction associated=RXN1K-87}}
+
{{#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 19:02, 21 March 2018

Metabolite 3-OXOPALMITOYL-COA

  • 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-]
  • inchi key:
    • InChIKey=NQMPLXPCRJOSHL-BBECNAHFSA-J
  • common name:
    • 3-oxo-palmitoyl-CoA
  • molecular weight:
    • 1015.898
  • Synonym(s):
    • 3-keto-palmitoyl-CoA
    • 3-oxohexadecanoyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • BIGG : 45445
  • PUBCHEM:
  • HMDB : HMDB06402
  • LIGAND-CPD:
  • CHEBI:
  • METABOLIGHTS : MTBLC57349
"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-" cannot be used as a page name in this wiki.



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