Difference between revisions of "CPD-4126"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=S2O3 S2O3] == * smiles: ** O=S(=O)([O-])S * inchi key: ** InChIKey=DHCDFWKWKRSZHF-UHFFFAOYSA-M...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-4126 CPD-4126] == * smiles: ** CC=C(C(C)C)CCC(C)[CH]3(CC[CH]4(C2(=CC=C1(CC(O)CCC(C)1[CH]2CC...")
 
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=S2O3 S2O3] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-4126 CPD-4126] ==
 
* smiles:
 
* smiles:
** O=S(=O)([O-])S
+
** CC=C(C(C)C)CCC(C)[CH]3(CC[CH]4(C2(=CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))
 
* inchi key:
 
* inchi key:
** InChIKey=DHCDFWKWKRSZHF-UHFFFAOYSA-M
+
** InChIKey=XPRWWANUPMYKMF-HVEGQNEHSA-N
 
* common name:
 
* common name:
** thiosulfate
+
** 5-dehydroavenasterol
 
* molecular weight:
 
* molecular weight:
** 113.126    
+
** 410.682    
 
* Synonym(s):
 
* Synonym(s):
** S2O3
 
** S2O32-
 
** S2O3-2
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[THIOSULFATE-SULFURTRANSFERASE-RXN]]
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* [[RXN-4210]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-4209]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[SULFOCYS-RXN]]
 
 
== External links  ==
 
== External links  ==
* BIGG : 34610
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=439208 439208]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=23724575 23724575]
* HMDB : HMDB00257
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* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C00320 C00320]
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* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.388348.html 388348]
+
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=33539 33539]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=80097 80097]
* METABOLIGHTS : MTBLC33539
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* LIGAND-CPD:
{{#set: smiles=O=S(=O)([O-])S}}
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** [http://www.genome.jp/dbget-bin/www_bget?C15783 C15783]
{{#set: inchi key=InChIKey=DHCDFWKWKRSZHF-UHFFFAOYSA-M}}
+
* HMDB : HMDB06852
{{#set: common name=thiosulfate}}
+
{{#set: smiles=CC=C(C(C)C)CCC(C)[CH]3(CC[CH]4(C2(=CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))}}
{{#set: molecular weight=113.126   }}
+
{{#set: inchi key=InChIKey=XPRWWANUPMYKMF-HVEGQNEHSA-N}}
{{#set: common name=S2O3|S2O32-|S2O3-2}}
+
{{#set: common name=5-dehydroavenasterol}}
{{#set: consumed by=THIOSULFATE-SULFURTRANSFERASE-RXN}}
+
{{#set: molecular weight=410.682   }}
{{#set: reversible reaction associated=SULFOCYS-RXN}}
+
{{#set: consumed by=RXN-4210}}
 +
{{#set: produced by=RXN-4209}}

Latest revision as of 19:20, 21 March 2018

Metabolite CPD-4126

  • smiles:
    • CC=C(C(C)C)CCC(C)[CH]3(CC[CH]4(C2(=CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))
  • inchi key:
    • InChIKey=XPRWWANUPMYKMF-HVEGQNEHSA-N
  • common name:
    • 5-dehydroavenasterol
  • molecular weight:
    • 410.682
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC=C(C(C)C)CCC(C)[CH]3(CC[CH]4(C2(=CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))" cannot be used as a page name in this wiki.