Difference between revisions of "CPD1G-771"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=2K-ADIPATE 2K-ADIPATE] == * smiles: ** C(CC(=O)C(=O)[O-])CC(=O)[O-] * inchi key: ** InChIKey=FG...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-15369 CPD-15369] == * smiles: ** CCCCCCC(O)CC=CCCCCCCCC(O)CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)CO...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=2K-ADIPATE 2K-ADIPATE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-15369 CPD-15369] ==
 
* smiles:
 
* smiles:
** C(CC(=O)C(=O)[O-])CC(=O)[O-]
+
** CCCCCCC(O)CC=CCCCCCCCC(O)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
 
* inchi key:
 
* inchi key:
** InChIKey=FGSBNBBHOZHUBO-UHFFFAOYSA-L
+
** InChIKey=CHMQNMKVOYFHHX-SGPQCWJRSA-J
 
* common name:
 
* common name:
** 2-oxoadipate
+
** 3R-hydroxy-lesqueroloyl-CoA
 
* molecular weight:
 
* molecular weight:
** 158.11    
+
** 1088.005    
 
* Synonym(s):
 
* Synonym(s):
** 2-ketoadipate
 
** α-ketoadipate
 
** 2-keto-adipate
 
** 2-oxohexanedionic acid
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[2-KETO-ADIPATE-DEHYDROG-RXN]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-14493]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[2-AMINOADIPATE-AMINOTRANSFERASE-RXN]]
 
 
== External links  ==
 
== External links  ==
* CAS : 3184-35-8
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=23615192 23615192]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=91819813 91819813]
* HMDB : HMDB00225
+
{{#set: smiles=CCCCCCC(O)CC=CCCCCCCCC(O)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}}
* LIGAND-CPD:
+
{{#set: inchi key=InChIKey=CHMQNMKVOYFHHX-SGPQCWJRSA-J}}
** [http://www.genome.jp/dbget-bin/www_bget?C00322 C00322]
+
{{#set: common name=3R-hydroxy-lesqueroloyl-CoA}}
* CHEMSPIDER:
+
{{#set: molecular weight=1088.005   }}
** [http://www.chemspider.com/Chemical-Structure.19951093.html 19951093]
+
{{#set: produced by=RXN-14493}}
* CHEBI:
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57499 57499]
+
* METABOLIGHTS : MTBLC57499
+
{{#set: smiles=C(CC(=O)C(=O)[O-])CC(=O)[O-]}}
+
{{#set: inchi key=InChIKey=FGSBNBBHOZHUBO-UHFFFAOYSA-L}}
+
{{#set: common name=2-oxoadipate}}
+
{{#set: molecular weight=158.11   }}
+
{{#set: common name=2-ketoadipate|α-ketoadipate|2-keto-adipate|2-oxohexanedionic acid}}
+
{{#set: consumed by=2-KETO-ADIPATE-DEHYDROG-RXN}}
+
{{#set: consumed or produced by=2-AMINOADIPATE-AMINOTRANSFERASE-RXN}}
+

Revision as of 17:59, 18 March 2018

Metabolite CPD-15369

  • smiles:
    • CCCCCCC(O)CC=CCCCCCCCC(O)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
  • inchi key:
    • InChIKey=CHMQNMKVOYFHHX-SGPQCWJRSA-J
  • common name:
    • 3R-hydroxy-lesqueroloyl-CoA
  • molecular weight:
    • 1088.005
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCCCCCC(O)CC=CCCCCCCCC(O)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" cannot be used as a page name in this wiki.