Difference between revisions of "HOMO-CIS-ACONITATE"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-9925 CPD-9925] == * smiles: ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(C2(C=C(O)C1(=CC=CC=C1C(O)=2)))=...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=HOMO-CIS-ACONITATE HOMO-CIS-ACONITATE] == * smiles: ** C(=O)([O-])C=C(CCC([O-])=O)C(=O)[O-] * c...")
 
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-9925 CPD-9925] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=HOMO-CIS-ACONITATE HOMO-CIS-ACONITATE] ==
 
* smiles:
 
* smiles:
−
** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(C2(C=C(O)C1(=CC=CC=C1C(O)=2)))=O)COP(=O)(OP(=O)(OCC3(C(OP([O-])(=O)[O-])C(O)C(O3)N5(C4(=C(C(N)=NC=N4)N=C5))))[O-])[O-]
+
** C(=O)([O-])C=C(CCC([O-])=O)C(=O)[O-]
 
* common name:
 
* common name:
−
** 1,4-dihydroxy-2-naphthoyl-CoA
+
** cis-homoaconitate
 
* inchi key:
 
* inchi key:
−
** InChIKey=PYTINLGPKDJURZ-HSJNEKGZSA-J
+
** InChIKey=BJYPZFUWWJSAKC-ARJAWSKDSA-K
 
* molecular weight:
 
* molecular weight:
−
** 949.669    
+
** 185.113    
 
* Synonym(s):
 
* Synonym(s):
−
** 1,4-dihydroxy-2-naphthoate-CoA
+
** 3-carboxyhex-2-enedioate
−
** DHNA-CoA
+
** (Z)-but-1-ene-1,2,4-tricarboxylate
 +
** homo-cis-aconitate
 +
** (Z)-1,2,4-but-1-enetricarboxylic acid
  
 
== 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 ==
−
* [[NAPHTHOATE-SYN-RXN]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[HOMOACONITATE-HYDRATASE-RXN]]
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=46878473 46878473]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=21158450 21158450]
 +
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.20117984.html 20117984]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58897 58897]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58174 58174]
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C15547 C15547]
+
** [http://www.genome.jp/dbget-bin/www_bget?C04002 C04002]
−
{{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(C2(C=C(O)C1(=CC=CC=C1C(O)=2)))=O)COP(=O)(OP(=O)(OCC3(C(OP([O-])(=O)[O-])C(O)C(O3)N5(C4(=C(C(N)=NC=N4)N=C5))))[O-])[O-]}}
+
{{#set: smiles=C(=O)([O-])C=C(CCC([O-])=O)C(=O)[O-]}}
−
{{#set: common name=1,4-dihydroxy-2-naphthoyl-CoA}}
+
{{#set: common name=cis-homoaconitate}}
−
{{#set: inchi key=InChIKey=PYTINLGPKDJURZ-HSJNEKGZSA-J}}
+
{{#set: inchi key=InChIKey=BJYPZFUWWJSAKC-ARJAWSKDSA-K}}
−
{{#set: molecular weight=949.669   }}
+
{{#set: molecular weight=185.113   }}
−
{{#set: common name=1,4-dihydroxy-2-naphthoate-CoA|DHNA-CoA}}
+
{{#set: common name=3-carboxyhex-2-enedioate|(Z)-but-1-ene-1,2,4-tricarboxylate|homo-cis-aconitate|(Z)-1,2,4-but-1-enetricarboxylic acid}}
−
{{#set: produced by=NAPHTHOATE-SYN-RXN}}
+
{{#set: reversible reaction associated=HOMOACONITATE-HYDRATASE-RXN}}

Latest revision as of 20:02, 21 March 2018

Metabolite HOMO-CIS-ACONITATE

  • smiles:
    • C(=O)([O-])C=C(CCC([O-])=O)C(=O)[O-]
  • common name:
    • cis-homoaconitate
  • inchi key:
    • InChIKey=BJYPZFUWWJSAKC-ARJAWSKDSA-K
  • molecular weight:
    • 185.113
  • Synonym(s):
    • 3-carboxyhex-2-enedioate
    • (Z)-but-1-ene-1,2,4-tricarboxylate
    • homo-cis-aconitate
    • (Z)-1,2,4-but-1-enetricarboxylic acid

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C(=O)([O-])C=C(CCC([O-])=O)C(=O)[O-" cannot be used as a page name in this wiki.



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