Difference between revisions of "CPD-420"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14281 CPD-14281] == * smiles: ** CCCCCCCCCCCCCCCCCCCC=CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-420 CPD-420] == * smiles: ** CC(NC(C(=O)[O-])CC(=O)[O-])=O * common name: ** N-acetyl-L-asp...")
 
(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-14281 CPD-14281] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-420 CPD-420] ==
 
* smiles:
 
* smiles:
−
** CCCCCCCCCCCCCCCCCCCC=CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O
+
** CC(NC(C(=O)[O-])CC(=O)[O-])=O
−
* inchi key:
+
−
** InChIKey=KRTIFNFQCJTGMV-DYAVHEMFSA-J
+
 
* common name:
 
* common name:
−
** trans-docos-2-enoyl-CoA
+
** N-acetyl-L-aspartate
 +
* inchi key:
 +
** InChIKey=OTCCIMWXFLJLIA-BYPYZUCNSA-L
 
* molecular weight:
 
* molecular weight:
−
** 1084.06    
+
** 173.125    
 
* Synonym(s):
 
* Synonym(s):
−
** trans-2,3-dihydro-docosenoyl-CoA
+
** N-acetyl-α-L-aspartate
−
** (2E)-docosenoyl-CoA
+
** N-acetyl-L-aspartic acid
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-13307]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-13303]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[RXN-13680]]
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=71627306 71627306]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=2042020 2042020]
 +
* HMDB : HMDB00812
 +
* LIGAND-CPD:
 +
** [http://www.genome.jp/dbget-bin/www_bget?C01042 C01042]
 +
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.1539206.html 1539206]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=74692 74692]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16953 16953]
−
{{#set: smiles=CCCCCCCCCCCCCCCCCCCC=CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O}}
+
* METABOLIGHTS : MTBLC16953
−
{{#set: inchi key=InChIKey=KRTIFNFQCJTGMV-DYAVHEMFSA-J}}
+
{{#set: smiles=CC(NC(C(=O)[O-])CC(=O)[O-])=O}}
−
{{#set: common name=trans-docos-2-enoyl-CoA}}
+
{{#set: common name=N-acetyl-L-aspartate}}
−
{{#set: molecular weight=1084.06   }}
+
{{#set: inchi key=InChIKey=OTCCIMWXFLJLIA-BYPYZUCNSA-L}}
−
{{#set: common name=trans-2,3-dihydro-docosenoyl-CoA|(2E)-docosenoyl-CoA}}
+
{{#set: molecular weight=173.125   }}
−
{{#set: consumed by=RXN-13307}}
+
{{#set: common name=N-acetyl-α-L-aspartate|N-acetyl-L-aspartic acid}}
−
{{#set: produced by=RXN-13303}}
+
{{#set: reversible reaction associated=RXN-13680}}

Latest revision as of 20:54, 21 March 2018

Metabolite CPD-420

  • smiles:
    • CC(NC(C(=O)[O-])CC(=O)[O-])=O
  • common name:
    • N-acetyl-L-aspartate
  • inchi key:
    • InChIKey=OTCCIMWXFLJLIA-BYPYZUCNSA-L
  • molecular weight:
    • 173.125
  • Synonym(s):
    • N-acetyl-α-L-aspartate
    • N-acetyl-L-aspartic acid

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC(NC(C(=O)[O-])CC(=O)[O-])=O" cannot be used as a page name in this wiki.



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