Difference between revisions of "PROPIONYL-COA-CARBOXY-RXN"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-226 CPD-226] == * smiles: ** C=CCC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-19512 CPD-19512] == * smiles: ** C(=[N-])=S * common name: ** isothiocyanate * inchi key: *...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-226 CPD-226] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-19512 CPD-19512] ==
 
* smiles:
 
* smiles:
−
** C=CCC(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
+
** C(=[N-])=S
−
* inchi key:
+
−
** InChIKey=UATIGEHITDTAGF-CITAKDKDSA-J
+
 
* common name:
 
* common name:
−
** vinylacetyl-CoA
+
** isothiocyanate
 +
* inchi key:
 +
** InChIKey=ZBKFYXZXZJPWNQ-UHFFFAOYSA-N
 
* molecular weight:
 
* molecular weight:
−
** 831.577    
+
** 58.078    
 
* Synonym(s):
 
* Synonym(s):
−
** 3-butenoyl-CoA
+
** isothiocyanic acid
−
** but-3-enoyl-CoA
+
  
 
== 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 ==
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[VINYLACETYL-COA-DELTA-ISOMERASE-RXN]]
+
* [[RXN-18232]]
 
== External links  ==
 
== External links  ==
−
* PUBCHEM:
+
* CHEMSPIDER:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266616 45266616]
+
** [http://www.chemspider.com/Chemical-Structure.10445869.html 10445869]
−
* CHEBI:
+
{{#set: smiles=C(=[N-])=S}}
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57396 57396]
+
{{#set: common name=isothiocyanate}}
−
* LIGAND-CPD:
+
{{#set: inchi key=InChIKey=ZBKFYXZXZJPWNQ-UHFFFAOYSA-N}}
−
** [http://www.genome.jp/dbget-bin/www_bget?C02331 C02331]
+
{{#set: molecular weight=58.078   }}
−
{{#set: smiles=C=CCC(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}}
+
{{#set: common name=isothiocyanic acid}}
−
{{#set: inchi key=InChIKey=UATIGEHITDTAGF-CITAKDKDSA-J}}
+
{{#set: reversible reaction associated=RXN-18232}}
−
{{#set: common name=vinylacetyl-CoA}}
+
−
{{#set: molecular weight=831.577   }}
+
−
{{#set: common name=3-butenoyl-CoA|but-3-enoyl-CoA}}
+
−
{{#set: reversible reaction associated=VINYLACETYL-COA-DELTA-ISOMERASE-RXN}}
+

Revision as of 15:48, 21 March 2018

Metabolite CPD-19512

  • smiles:
    • C(=[N-])=S
  • common name:
    • isothiocyanate
  • inchi key:
    • InChIKey=ZBKFYXZXZJPWNQ-UHFFFAOYSA-N
  • molecular weight:
    • 58.078
  • Synonym(s):
    • isothiocyanic acid

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

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



Retrieved from "http://gem-aureme.irisa.fr/tisogem/index.php?title=PROPIONYL-COA-CARBOXY-RXN&oldid=36399"