Difference between revisions of "RXN-3701"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=BILIVERDINE BILIVERDINE] == * smiles: ** C=CC1(=C(C)C(NC1=CC4(=C(C)C(CCC(=O)[O-])=C(C=C2(C(CCC(...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7036 CPD-7036] == * smiles: ** CSCCC=O * inchi key: ** InChIKey=CLUWOWRTHNNBBU-UHFFFAOYSA-N...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=BILIVERDINE BILIVERDINE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7036 CPD-7036] ==
 
* smiles:
 
* smiles:
−
** C=CC1(=C(C)C(NC1=CC4(=C(C)C(CCC(=O)[O-])=C(C=C2(C(CCC(=O)[O-])=C(C)C(=N2)C=C3(C(C)=C(C=C)C(=O)N3)))N4))=O)
+
** CSCCC=O
 
* inchi key:
 
* inchi key:
−
** InChIKey=QBUVFDKTZJNUPP-BBROENKCSA-L
+
** InChIKey=CLUWOWRTHNNBBU-UHFFFAOYSA-N
 
* common name:
 
* common name:
−
** biliverdin-IX-α
+
** 3-methylthiopropanal
 
* molecular weight:
 
* molecular weight:
−
** 580.639    
+
** 104.167    
 
* Synonym(s):
 
* Synonym(s):
−
** dehydrobilirubin
+
** methional
−
** uteroverdine
+
** 3-methylthiopropional
−
** biliverdine
+
** 3-methylthio-propionaldehyde
−
** biliverdin
+
** 3-methylsulfanyl-propanal
 +
** 3-methylmercapto-propionaldehyde
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[1.3.7.4-RXN]]
+
* [[RXN-7706]]
−
* [[BILIVERDIN-REDUCTASE-RXN]]
+
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[HEME-OXYGENASE-DECYCLIZING-RXN]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
−
* LIGAND-CPD:
 
−
** [http://www.genome.jp/dbget-bin/www_bget?C00500 C00500]
 
−
* CHEBI:
 
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57991 57991]
 
−
* METABOLIGHTS : MTBLC57991
 
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25245769 25245769]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=18635 18635]
−
* HMDB : HMDB01008
+
* CHEMSPIDER:
−
{{#set: smiles=C=CC1(=C(C)C(NC1=CC4(=C(C)C(CCC(=O)[O-])=C(C=C2(C(CCC(=O)[O-])=C(C)C(=N2)C=C3(C(C)=C(C=C)C(=O)N3)))N4))=O)}}
+
** [http://www.chemspider.com/Chemical-Structure.17597.html 17597]
−
{{#set: inchi key=InChIKey=QBUVFDKTZJNUPP-BBROENKCSA-L}}
+
* CHEBI:
−
{{#set: common name=biliverdin-IX-α}}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=49017 49017]
−
{{#set: molecular weight=580.639   }}
+
* HMDB : HMDB31857
−
{{#set: common name=dehydrobilirubin|uteroverdine|biliverdine|biliverdin}}
+
{{#set: smiles=CSCCC=O}}
−
{{#set: consumed by=1.3.7.4-RXN|BILIVERDIN-REDUCTASE-RXN}}
+
{{#set: inchi key=InChIKey=CLUWOWRTHNNBBU-UHFFFAOYSA-N}}
−
{{#set: produced by=HEME-OXYGENASE-DECYCLIZING-RXN}}
+
{{#set: common name=3-methylthiopropanal}}
 +
{{#set: molecular weight=104.167   }}
 +
{{#set: common name=methional|3-methylthiopropional|3-methylthio-propionaldehyde|3-methylsulfanyl-propanal|3-methylmercapto-propionaldehyde}}
 +
{{#set: consumed by=RXN-7706}}

Revision as of 19:01, 18 March 2018

Metabolite CPD-7036

  • smiles:
    • CSCCC=O
  • inchi key:
    • InChIKey=CLUWOWRTHNNBBU-UHFFFAOYSA-N
  • common name:
    • 3-methylthiopropanal
  • molecular weight:
    • 104.167
  • Synonym(s):
    • methional
    • 3-methylthiopropional
    • 3-methylthio-propionaldehyde
    • 3-methylsulfanyl-propanal
    • 3-methylmercapto-propionaldehyde

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links




Retrieved from "http://gem-aureme.irisa.fr/tisogem/index.php?title=RXN-3701&oldid=21362"