Difference between revisions of "CPD-1137"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=AMMONIA AMMONIA] == * smiles: ** [NH3] * inchi key: ** InChIKey=QGZKDVFQNNGYKY-UHFFFAOYSA-N * c...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-1137 CPD-1137] == * smiles: ** C=C(CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP(...")
 
(3 intermediate revisions by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=AMMONIA AMMONIA] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-1137 CPD-1137] ==
 
* smiles:
 
* smiles:
** [NH3]
+
** C=C(CC(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-])=O)C([O-])=O
* inchi key:
+
** InChIKey=QGZKDVFQNNGYKY-UHFFFAOYSA-N
+
 
* common name:
 
* common name:
** ammonia
+
** itaconyl-CoA
 +
* inchi key:
 +
** InChIKey=NFVGYLGSSJPRKW-CITAKDKDSA-I
 
* molecular weight:
 
* molecular weight:
** 17.03    
+
** 874.579    
 
* Synonym(s):
 
* Synonym(s):
** NH3
 
  
 
== 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 ==
* [[R00357]]
+
* [[RXN-8988]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[RXN-11811]]
 
 
== External links  ==
 
== External links  ==
* CAS : 7664-41-7
 
* PUBCHEM:
 
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=222 222]
 
* KNAPSACK : C00007267
 
* HMDB : HMDB00051
 
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C00014 C00014]
+
** [http://www.genome.jp/dbget-bin/www_bget?C00531 C00531]
* CHEMSPIDER:
+
* HMDB : HMDB03377
** [http://www.chemspider.com/Chemical-Structure.217.html 217]
+
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16134 16134]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57381 57381]
* METABOLIGHTS : MTBLC16134
+
* METABOLIGHTS : MTBLC57381
{{#set: smiles=[NH3]}}
+
* PUBCHEM:
{{#set: inchi key=InChIKey=QGZKDVFQNNGYKY-UHFFFAOYSA-N}}
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266606 45266606]
{{#set: common name=ammonia}}
+
{{#set: smiles=C=C(CC(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-])=O)C([O-])=O}}
{{#set: molecular weight=17.03    }}
+
{{#set: common name=itaconyl-CoA}}
{{#set: common name=NH3}}
+
{{#set: inchi key=InChIKey=NFVGYLGSSJPRKW-CITAKDKDSA-I}}
{{#set: produced by=R00357}}
+
{{#set: molecular weight=874.579    }}
{{#set: consumed or produced by=RXN-11811}}
+
{{#set: produced by=RXN-8988}}

Latest revision as of 20:04, 21 March 2018

Metabolite CPD-1137

  • smiles:
    • C=C(CC(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-])=O)C([O-])=O
  • common name:
    • itaconyl-CoA
  • inchi key:
    • InChIKey=NFVGYLGSSJPRKW-CITAKDKDSA-I
  • molecular weight:
    • 874.579
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • LIGAND-CPD:
  • HMDB : HMDB03377
  • CHEBI:
  • METABOLIGHTS : MTBLC57381
  • PUBCHEM:
"C=C(CC(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-])=O)C([O-])=O" cannot be used as a page name in this wiki.