Difference between revisions of "ITACONATE"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-19158 CPD-19158] == * smiles: ** CCCCCCC=CCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ITACONATE ITACONATE] == * smiles: ** C=C(C(=O)[O-])CC([O-])=O * inchi key: ** InChIKey=LVHBHZAN...")
 
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-19158 CPD-19158] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ITACONATE ITACONATE] ==
 
* smiles:
 
* smiles:
−
** CCCCCCC=CCCCCCC(=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-]
+
** C=C(C(=O)[O-])CC([O-])=O
 
* inchi key:
 
* inchi key:
−
** InChIKey=JDNARGYWMLYADA-MDMKAECGSA-J
+
** InChIKey=LVHBHZANLOWSRM-UHFFFAOYSA-L
 
* common name:
 
* common name:
−
** 3-oxo-(9Z)-hexadecenoyl-CoA
+
** itaconate
 
* molecular weight:
 
* molecular weight:
−
** 1013.883    
+
** 128.084    
 
* Synonym(s):
 
* Synonym(s):
−
** 3-oxo-16:1-Δ9-CoA
+
** propylenedicarboxylic acid
−
** 3-oxo-9-cis-hexadecenoyl-CoA
+
** methylenebutanedioic acid
 +
** 2-propene-1,2-dicarboxylic acid
 +
** methylenesuccinic acid
 +
** itaconic acid
 +
** 2-methylsuccinate
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-8988]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-17790]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
−
{{#set: smiles=CCCCCCC=CCCCCCC(=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-]}}
+
* CAS : 97-65-4
−
{{#set: inchi key=InChIKey=JDNARGYWMLYADA-MDMKAECGSA-J}}
+
* PUBCHEM:
−
{{#set: common name=3-oxo-(9Z)-hexadecenoyl-CoA}}
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5459996 5459996]
−
{{#set: molecular weight=1013.883   }}
+
* HMDB : HMDB02092
−
{{#set: common name=3-oxo-16:1-Δ9-CoA|3-oxo-9-cis-hexadecenoyl-CoA}}
+
* LIGAND-CPD:
−
{{#set: produced by=RXN-17790}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C00490 C00490]
 +
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.4573697.html 4573697]
 +
* CHEBI:
 +
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17240 17240]
 +
* METABOLIGHTS : MTBLC17240
 +
{{#set: smiles=C=C(C(=O)[O-])CC([O-])=O}}
 +
{{#set: inchi key=InChIKey=LVHBHZANLOWSRM-UHFFFAOYSA-L}}
 +
{{#set: common name=itaconate}}
 +
{{#set: molecular weight=128.084   }}
 +
{{#set: common name=propylenedicarboxylic acid|methylenebutanedioic acid|2-propene-1,2-dicarboxylic acid|methylenesuccinic acid|itaconic acid|2-methylsuccinate}}
 +
{{#set: consumed by=RXN-8988}}

Latest revision as of 19:31, 21 March 2018

Metabolite ITACONATE

  • smiles:
    • C=C(C(=O)[O-])CC([O-])=O
  • inchi key:
    • InChIKey=LVHBHZANLOWSRM-UHFFFAOYSA-L
  • common name:
    • itaconate
  • molecular weight:
    • 128.084
  • Synonym(s):
    • propylenedicarboxylic acid
    • methylenebutanedioic acid
    • 2-propene-1,2-dicarboxylic acid
    • methylenesuccinic acid
    • itaconic acid
    • 2-methylsuccinate

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 97-65-4
  • PUBCHEM:
  • HMDB : HMDB02092
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC17240
"C=C(C(=O)[O-])CC([O-])=O" cannot be used as a page name in this wiki.



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