Difference between revisions of "CPD-19512"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=FADH2 FADH2] == * smiles: ** CC1(=C(C)C=C2(N(C3(NC(NC(=O)C(NC(=C1)2)=3)=O))CC(O)C(O)C(O)COP(OP(...")
 
(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: *...")
 
(3 intermediate revisions by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=FADH2 FADH2] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-19512 CPD-19512] ==
 
* smiles:
 
* smiles:
−
** CC1(=C(C)C=C2(N(C3(NC(NC(=O)C(NC(=C1)2)=3)=O))CC(O)C(O)C(O)COP(OP([O-])(OCC6(C(O)C(O)C(N5(C=NC4(C(N)=NC=NC=45)))O6))=O)([O-])=O))
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** C(=[N-])=S
−
* inchi key:
+
−
** InChIKey=YPZRHBJKEMOYQH-UYBVJOGSSA-L
+
 
* common name:
 
* common name:
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** FADH2
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** isothiocyanate
 +
* inchi key:
 +
** InChIKey=ZBKFYXZXZJPWNQ-UHFFFAOYSA-N
 
* molecular weight:
 
* molecular weight:
−
** 785.556    
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** 58.078    
 
* Synonym(s):
 
* Synonym(s):
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** flavin adenine dinucleotide reduced
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** isothiocyanic acid
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** 1,5-dihydro-FAD
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[G3PD3]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[MEPROPCOA-FAD-RXN]]
 
−
* [[ACOA120or]]
 
−
* [[MCDH_2mb2coa]]
 
−
* [[ACOA140or]]
 
−
* [[ACOA160or]]
 
−
* [[ACOA80or]]
 
−
* [[MCDH]]
 
−
* [[IVCDH]]
 
−
* [[ACOA40or]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[PPCOAOm]]
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* [[RXN-18232]]
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* [[RXN-14264]]
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−
* [[RXN-14193]]
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== External links  ==
 
== External links  ==
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* CAS : 1910-41-4
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* CHEMSPIDER:
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* METABOLIGHTS : MTBLC58307
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** [http://www.chemspider.com/Chemical-Structure.10445869.html 10445869]
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* PUBCHEM:
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{{#set: smiles=C(=[N-])=S}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=46931118 46931118]
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{{#set: common name=isothiocyanate}}
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* HMDB : HMDB01197
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{{#set: inchi key=InChIKey=ZBKFYXZXZJPWNQ-UHFFFAOYSA-N}}
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* LIGAND-CPD:
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{{#set: molecular weight=58.078   }}
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** [http://www.genome.jp/dbget-bin/www_bget?C01352 C01352]
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{{#set: common name=isothiocyanic acid}}
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* CHEBI:
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{{#set: reversible reaction associated=RXN-18232}}
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58307 58307]
+
−
* BIGG : fadh2
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−
{{#set: smiles=CC1(=C(C)C=C2(N(C3(NC(NC(=O)C(NC(=C1)2)=3)=O))CC(O)C(O)C(O)COP(OP([O-])(OCC6(C(O)C(O)C(N5(C=NC4(C(N)=NC=NC=45)))O6))=O)([O-])=O))}}
+
−
{{#set: inchi key=InChIKey=YPZRHBJKEMOYQH-UYBVJOGSSA-L}}
+
−
{{#set: common name=FADH2}}
+
−
{{#set: molecular weight=785.556   }}
+
−
{{#set: common name=flavin adenine dinucleotide reduced|1,5-dihydro-FAD}}
+
−
{{#set: consumed by=G3PD3}}
+
−
{{#set: produced by=MEPROPCOA-FAD-RXN|ACOA120or|MCDH_2mb2coa|ACOA140or|ACOA160or|ACOA80or|MCDH|IVCDH|ACOA40or}}
+
−
{{#set: consumed or produced by=PPCOAOm|RXN-14264|RXN-14193}}
+

Latest revision as of 20:05, 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.



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