Difference between revisions of "CPD-14423"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=S-ALLANTOIN S-ALLANTOIN] == * smiles: ** C1(NC(N)=O)(NC(=O)NC(=O)1) * inchi key: ** InChIKey=PO...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14423 CPD-14423] == * smiles: ** CCC=CCC=CCC=CCC=CCC=CCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(...")
 
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=S-ALLANTOIN S-ALLANTOIN] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14423 CPD-14423] ==
 
* smiles:
 
* smiles:
** C1(NC(N)=O)(NC(=O)NC(=O)1)
+
** CCC=CCC=CCC=CCC=CCC=CCCCC(=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=POJWUDADGALRAB-SFOWXEAESA-N
+
** InChIKey=SLYKKQSPRFJDAF-HVGANWHPSA-J
 
* common name:
 
* common name:
** (S)-(+)-allantoin
+
** 3-oxo-docosapentaenoyl-CoA
 
* molecular weight:
 
* molecular weight:
** 158.116    
+
** 1089.98    
 
* Synonym(s):
 
* Synonym(s):
** S-allantoin
+
** (5Z,8Z,11Z,14Z,17Z)-3-oxo-docosa-5,8,11,14,17-pentaenoyl-CoA
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[ALLANTOINASE-RXN]]
+
* [[RXN-13443]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-6201]]
+
* [[RXN-13442]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* BIGG : 37849
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=439714 439714]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=71581097 71581097]
* LIGAND-CPD:
+
** [http://www.genome.jp/dbget-bin/www_bget?C02350 C02350]
+
* CHEMSPIDER:
+
** [http://www.chemspider.com/Chemical-Structure.388780.html 388780]
+
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15678 15678]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=73863 73863]
* METABOLIGHTS : MTBLC15678
+
{{#set: smiles=CCC=CCC=CCC=CCC=CCC=CCCCC(=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=C1(NC(N)=O)(NC(=O)NC(=O)1)}}
+
{{#set: inchi key=InChIKey=SLYKKQSPRFJDAF-HVGANWHPSA-J}}
{{#set: inchi key=InChIKey=POJWUDADGALRAB-SFOWXEAESA-N}}
+
{{#set: common name=3-oxo-docosapentaenoyl-CoA}}
{{#set: common name=(S)-(+)-allantoin}}
+
{{#set: molecular weight=1089.98   }}
{{#set: molecular weight=158.116   }}
+
{{#set: common name=(5Z,8Z,11Z,14Z,17Z)-3-oxo-docosa-5,8,11,14,17-pentaenoyl-CoA}}
{{#set: common name=S-allantoin}}
+
{{#set: consumed by=RXN-13443}}
{{#set: consumed by=ALLANTOINASE-RXN}}
+
{{#set: produced by=RXN-13442}}
{{#set: produced by=RXN-6201}}
+

Latest revision as of 19:27, 21 March 2018

Metabolite CPD-14423

  • smiles:
    • CCC=CCC=CCC=CCC=CCC=CCCCC(=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=SLYKKQSPRFJDAF-HVGANWHPSA-J
  • common name:
    • 3-oxo-docosapentaenoyl-CoA
  • molecular weight:
    • 1089.98
  • Synonym(s):
    • (5Z,8Z,11Z,14Z,17Z)-3-oxo-docosa-5,8,11,14,17-pentaenoyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCC=CCC=CCC=CCC=CCC=CCCCC(=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.