Difference between revisions of "CPD-17346"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ACETYL-GLU ACETYL-GLU] == * smiles: ** CC(=O)NC(C([O-])=O)CCC(=O)[O-] * inchi key: ** InChIKey=...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17346 CPD-17346] == * smiles: ** CCCCCC=CCC=CCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)...")
 
(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=ACETYL-GLU ACETYL-GLU] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17346 CPD-17346] ==
 
* smiles:
 
* smiles:
** CC(=O)NC(C([O-])=O)CCC(=O)[O-]
+
** CCCCCC=CCC=CCCCCCCCC(=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=RFMMMVDNIPUKGG-YFKPBYRVSA-L
+
 
* common name:
 
* common name:
** N-acetyl-L-glutamate
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** 3-oxo-(11Z,14Z)-icosa-11,14-dienoyl-CoA
 +
* inchi key:
 +
** InChIKey=PUWDUOCPCWFEFG-YGYQDCEASA-J
 
* molecular weight:
 
* molecular weight:
** 187.152    
+
** 1067.974    
 
* Synonym(s):
 
* Synonym(s):
** N-acetyl-L-glutamic acid
 
** acetyl-L-glu
 
** acetyl-L-glutamate
 
** NAG
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-16095]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[GLUTAMATE-N-ACETYLTRANSFERASE-RXN]]
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* [[RXN-16094]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[N-ACETYLTRANSFER-RXN]]
 
* [[ACETYLGLUTKIN-RXN]]
 
 
== External links  ==
 
== External links  ==
* CAS : 1188-37-0
 
* BIGG : 35520
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=1549099 1549099]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=71581045 71581045]
* HMDB : HMDB01138
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* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C00624 C00624]
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* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.1266066.html 1266066]
+
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=44337 44337]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=74012 74012]
* METABOLIGHTS : MTBLC44337
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{{#set: smiles=CCCCCC=CCC=CCCCCCCCC(=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: smiles=CC(=O)NC(C([O-])=O)CCC(=O)[O-]}}
+
{{#set: common name=3-oxo-(11Z,14Z)-icosa-11,14-dienoyl-CoA}}
{{#set: inchi key=InChIKey=RFMMMVDNIPUKGG-YFKPBYRVSA-L}}
+
{{#set: inchi key=InChIKey=PUWDUOCPCWFEFG-YGYQDCEASA-J}}
{{#set: common name=N-acetyl-L-glutamate}}
+
{{#set: molecular weight=1067.974   }}
{{#set: molecular weight=187.152   }}
+
{{#set: consumed by=RXN-16095}}
{{#set: common name=N-acetyl-L-glutamic acid|acetyl-L-glu|acetyl-L-glutamate|NAG}}
+
{{#set: produced by=RXN-16094}}
{{#set: produced by=GLUTAMATE-N-ACETYLTRANSFERASE-RXN}}
+
{{#set: consumed or produced by=N-ACETYLTRANSFER-RXN|ACETYLGLUTKIN-RXN}}
+

Latest revision as of 19:58, 21 March 2018

Metabolite CPD-17346

  • smiles:
    • CCCCCC=CCC=CCCCCCCCC(=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-]
  • common name:
    • 3-oxo-(11Z,14Z)-icosa-11,14-dienoyl-CoA
  • inchi key:
    • InChIKey=PUWDUOCPCWFEFG-YGYQDCEASA-J
  • molecular weight:
    • 1067.974
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCCCCC=CCC=CCCCCCCCC(=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.