Difference between revisions of "ISOCIT-CLEAV-RXN"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12014 CPD-12014] == * smiles: ** CC(=O)NCCC1(=CNC2(C1=CC(OC)=C(O)C=2)) * inchi key: ** InCh...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14300 CPD-14300] == * smiles: ** CCCCCCCCC=CCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)C...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12014 CPD-12014] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14300 CPD-14300] ==
 
* smiles:
 
* smiles:
** CC(=O)NCCC1(=CNC2(C1=CC(OC)=C(O)C=2))
+
** CCCCCCCCC=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:
 
* inchi key:
** InChIKey=OMYMRCXOJJZYKE-UHFFFAOYSA-N
+
** InChIKey=ASKKPQKSCFYPPP-FVLDFCIYSA-J
 
* common name:
 
* common name:
** 6-hydroxymelatonin
+
** 3-oxo-(11Z)-eicos-11-enoyl-CoA
 
* molecular weight:
 
* molecular weight:
** 248.281    
+
** 1069.99    
 
* Synonym(s):
 
* Synonym(s):
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-11058]]
+
* [[RXN-14484]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-11056]]
+
* [[RXN-13322]]
 
== 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=1864 1864]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=71581100 71581100]
* HMDB : HMDB04081
+
* LIGAND-CPD:
+
** [http://www.genome.jp/dbget-bin/www_bget?C05643 C05643]
+
* CHEMSPIDER:
+
** [http://www.chemspider.com/Chemical-Structure.1794.html 1794]
+
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=2198 2198]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=74011 74011]
* METABOLIGHTS : MTBLC2198
+
{{#set: smiles=CCCCCCCCC=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)NCCC1(=CNC2(C1=CC(OC)=C(O)C=2))}}
+
{{#set: inchi key=InChIKey=ASKKPQKSCFYPPP-FVLDFCIYSA-J}}
{{#set: inchi key=InChIKey=OMYMRCXOJJZYKE-UHFFFAOYSA-N}}
+
{{#set: common name=3-oxo-(11Z)-eicos-11-enoyl-CoA}}
{{#set: common name=6-hydroxymelatonin}}
+
{{#set: molecular weight=1069.99   }}
{{#set: molecular weight=248.281   }}
+
{{#set: consumed by=RXN-14484}}
{{#set: consumed by=RXN-11058}}
+
{{#set: produced by=RXN-13322}}
{{#set: produced by=RXN-11056}}
+

Revision as of 19:45, 18 March 2018

Metabolite CPD-14300

  • smiles:
    • CCCCCCCCC=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=ASKKPQKSCFYPPP-FVLDFCIYSA-J
  • common name:
    • 3-oxo-(11Z)-eicos-11-enoyl-CoA
  • molecular weight:
    • 1069.99
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCCCCCCCC=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.