Difference between revisions of "CPD-558"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=AMINO-OXOBUT AMINO-OXOBUT] == * smiles: ** CC(=O)C([N+])C([O-])=O * inchi key: ** InChIKey=SAUC...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-558 CPD-558] == * smiles: ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CCCCCC([O-])=O)=O)COP(=O)(OP(=O)(...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=AMINO-OXOBUT AMINO-OXOBUT] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-558 CPD-558] ==
 
* smiles:
 
* smiles:
−
** CC(=O)C([N+])C([O-])=O
+
** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CCCCCC([O-])=O)=O)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=SAUCHDKDCUROAO-VKHMYHEASA-N
+
** InChIKey=LYCRXMTYUZDUGA-UYRKPTJQSA-I
 
* common name:
 
* common name:
−
** L-2-amino-3-oxobutanoate
+
** pimeloyl-CoA
 
* molecular weight:
 
* molecular weight:
−
** 117.104    
+
** 904.649    
 
* Synonym(s):
 
* Synonym(s):
−
** 3-oxothreonine
+
** 6-carboxyhexanoyl-CoA
−
** 3-keto-L-threonine
+
** pimelyl-CoA
−
** L-2-amino-acetoacetate
+
−
** L-2-amino-3-ketobutyrate
+
−
** L-2-amino-3-oxobutyrate
+
−
** α-amino-β-ketobutyrate
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[7KAPSYN-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[THREODEHYD-RXN]]
 
 
== 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=86289686 86289686]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266589 45266589]
−
* HMDB : HMDB06454
+
−
* LIGAND-CPD:
+
−
** [http://www.genome.jp/dbget-bin/www_bget?C03508 C03508]
+
−
* CHEMSPIDER:
+
−
** [http://www.chemspider.com/Chemical-Structure.4573764.html 4573764]
+
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=78948 78948]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57360 57360]
−
* BIGG : 2aobut
+
* BIGG : pmcoa
−
{{#set: smiles=CC(=O)C([N+])C([O-])=O}}
+
* LIGAND-CPD:
−
{{#set: inchi key=InChIKey=SAUCHDKDCUROAO-VKHMYHEASA-N}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C01063 C01063]
−
{{#set: common name=L-2-amino-3-oxobutanoate}}
+
{{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CCCCCC([O-])=O)=O)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: molecular weight=117.104   }}
+
{{#set: inchi key=InChIKey=LYCRXMTYUZDUGA-UYRKPTJQSA-I}}
−
{{#set: common name=3-oxothreonine|3-keto-L-threonine|L-2-amino-acetoacetate|L-2-amino-3-ketobutyrate|L-2-amino-3-oxobutyrate|α-amino-β-ketobutyrate}}
+
{{#set: common name=pimeloyl-CoA}}
−
{{#set: produced by=THREODEHYD-RXN}}
+
{{#set: molecular weight=904.649   }}
 +
{{#set: common name=6-carboxyhexanoyl-CoA|pimelyl-CoA}}
 +
{{#set: consumed by=7KAPSYN-RXN}}

Revision as of 16:52, 23 May 2018

Metabolite CPD-558

  • smiles:
    • CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CCCCCC([O-])=O)=O)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=LYCRXMTYUZDUGA-UYRKPTJQSA-I
  • common name:
    • pimeloyl-CoA
  • molecular weight:
    • 904.649
  • Synonym(s):
    • 6-carboxyhexanoyl-CoA
    • pimelyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CCCCCC([O-])=O)=O)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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