Difference between revisions of "R163-RXN"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-725 CPD-725] == * smiles: ** CCC=CCC(C=CC=CCCCCCCCC([O-])=O)OO * inchi key: ** InChIKey=UYQ...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=FORMALDEHYDE FORMALDEHYDE] == * smiles: ** [CH2]=O * inchi key: ** InChIKey=WSFSSNUMVMOOMR-UHFF...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-725 CPD-725] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=FORMALDEHYDE FORMALDEHYDE] ==
 
* smiles:
 
* smiles:
−
** CCC=CCC(C=CC=CCCCCCCCC([O-])=O)OO
+
** [CH2]=O
 
* inchi key:
 
* inchi key:
−
** InChIKey=UYQGVDXDXBAABN-FQSPHKRJSA-M
+
** InChIKey=WSFSSNUMVMOOMR-UHFFFAOYSA-N
 
* common name:
 
* common name:
−
** 13(S)-HPOTE
+
** formaldehyde
 
* molecular weight:
 
* molecular weight:
−
** 309.425    
+
** 30.026    
 
* Synonym(s):
 
* Synonym(s):
−
** 13(S)-hydroperoxylinolenic acid
+
** formalin
−
** hydroperoxylinolenic acid
+
** methanal
−
** 13S-hydroperoxy-9(Z),11(E),15(Z)-octadecatrienoic acid
+
** formol
−
** 13(S)-hydroperoxy-(9Z,11E,15Z)-octadecatrienoate
+
−
** 13(S)-hydroperoxylinolenate
+
−
** (9Z,11E,15Z)-(13S)-hydroperoxyoctadeca-9,11,15-trienoate
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-2881]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-1321]]
+
* [[RXN-11057]]
 +
* [[RXN-2961]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[RXN-14189]]
 
== External links  ==
 
== External links  ==
 +
* CAS : 50-00-0
 +
* BIGG : 33726
 +
* DRUGBANK : DB03843
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266757 45266757]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=712 712]
−
* CHEBI:
+
* HMDB : HMDB01426
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58757 58757]
+
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C04785 C04785]
+
** [http://www.genome.jp/dbget-bin/www_bget?C00067 C00067]
−
{{#set: smiles=CCC=CCC(C=CC=CCCCCCCCC([O-])=O)OO}}
+
* CHEMSPIDER:
−
{{#set: inchi key=InChIKey=UYQGVDXDXBAABN-FQSPHKRJSA-M}}
+
** [http://www.chemspider.com/Chemical-Structure.692.html 692]
−
{{#set: common name=13(S)-HPOTE}}
+
* CHEBI:
−
{{#set: molecular weight=309.425   }}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16842 16842]
−
{{#set: common name=13(S)-hydroperoxylinolenic acid|hydroperoxylinolenic acid|13S-hydroperoxy-9(Z),11(E),15(Z)-octadecatrienoic acid|13(S)-hydroperoxy-(9Z,11E,15Z)-octadecatrienoate|13(S)-hydroperoxylinolenate|(9Z,11E,15Z)-(13S)-hydroperoxyoctadeca-9,11,15-trienoate}}
+
* METABOLIGHTS : MTBLC16842
−
{{#set: produced by=RXN-1321}}
+
{{#set: smiles=[CH2]=O}}
 +
{{#set: inchi key=InChIKey=WSFSSNUMVMOOMR-UHFFFAOYSA-N}}
 +
{{#set: common name=formaldehyde}}
 +
{{#set: molecular weight=30.026   }}
 +
{{#set: common name=formalin|methanal|formol}}
 +
{{#set: consumed by=RXN-2881}}
 +
{{#set: produced by=RXN-11057|RXN-2961}}
 +
{{#set: reversible reaction associated=RXN-14189}}

Revision as of 21:49, 17 March 2018

Metabolite FORMALDEHYDE

  • smiles:
    • [CH2]=O
  • inchi key:
    • InChIKey=WSFSSNUMVMOOMR-UHFFFAOYSA-N
  • common name:
    • formaldehyde
  • molecular weight:
    • 30.026
  • Synonym(s):
    • formalin
    • methanal
    • formol

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 50-00-0
  • BIGG : 33726
  • DRUGBANK : DB03843
  • PUBCHEM:
  • HMDB : HMDB01426
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC16842
"CH2]=O" cannot be used as a page name in this wiki.




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