Difference between revisions of "CPD-723"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-MERCAPTO-PYRUVATE 3-MERCAPTO-PYRUVATE] == * smiles: ** C(C(C(=O)[O-])=O)S * inchi key: ** InC...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-723 CPD-723] == * smiles: ** CC(C)C(C)C(O)C(O)C(C)[CH]3(CC[CH]4([CH]2(CC[CH]1(CC(O)C(O)CC(C...")
 
(2 intermediate revisions by the same user not shown)
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-MERCAPTO-PYRUVATE 3-MERCAPTO-PYRUVATE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-723 CPD-723] ==
 
* smiles:
 
* smiles:
−
** C(C(C(=O)[O-])=O)S
+
** CC(C)C(C)C(O)C(O)C(C)[CH]3(CC[CH]4([CH]2(CC[CH]1(CC(O)C(O)CC(C)1[CH]2CCC(C)34))))
−
* inchi key:
+
−
** InChIKey=OJOLFAIGOXZBCI-UHFFFAOYSA-M
+
 
* common name:
 
* common name:
−
** 3-mercaptopyruvate
+
** 6-deoxocastasterone
 +
* inchi key:
 +
** InChIKey=VXBLCLVRWCLEOX-BFYSZXNBSA-N
 
* molecular weight:
 
* molecular weight:
−
** 119.115    
+
** 450.701    
 
* Synonym(s):
 
* Synonym(s):
−
** mercaptopyruvate
+
** deoxocastasterone
−
** 3-mercaptopyruvic acid
+
−
** β-thiopyruvate
+
−
** β-mercaptopyruvate
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[MERCAPYSTRANS-RXN]]
+
* [[RXN-778]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[CYSTEINE-AMINOTRANSFERASE-RXN]]
 
 
== External links  ==
 
== External links  ==
−
* CAS : 2464-23-5
+
* LIPID_MAPS : LMST01030127
−
* METABOLIGHTS : MTBLC57678
+
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=4182595 4182595]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=13870433 13870433]
−
* HMDB : HMDB01368
+
* HMDB : HMDB33984
−
* LIGAND-CPD:
+
−
** [http://www.genome.jp/dbget-bin/www_bget?C00957 C00957]
+
−
* CHEMSPIDER:
+
−
** [http://www.chemspider.com/Chemical-Structure.3393581.html 3393581]
+
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57678 57678]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=20712 20712]
−
* BIGG : mercppyr
+
* LIGAND-CPD:
−
{{#set: smiles=C(C(C(=O)[O-])=O)S}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C15802 C15802]
−
{{#set: inchi key=InChIKey=OJOLFAIGOXZBCI-UHFFFAOYSA-M}}
+
{{#set: smiles=CC(C)C(C)C(O)C(O)C(C)[CH]3(CC[CH]4([CH]2(CC[CH]1(CC(O)C(O)CC(C)1[CH]2CCC(C)34))))}}
−
{{#set: common name=3-mercaptopyruvate}}
+
{{#set: common name=6-deoxocastasterone}}
−
{{#set: molecular weight=119.115   }}
+
{{#set: inchi key=InChIKey=VXBLCLVRWCLEOX-BFYSZXNBSA-N}}
−
{{#set: common name=mercaptopyruvate|3-mercaptopyruvic acid|β-thiopyruvate|β-mercaptopyruvate}}
+
{{#set: molecular weight=450.701   }}
−
{{#set: consumed by=MERCAPYSTRANS-RXN}}
+
{{#set: common name=deoxocastasterone}}
−
{{#set: consumed or produced by=CYSTEINE-AMINOTRANSFERASE-RXN}}
+
{{#set: consumed by=RXN-778}}

Latest revision as of 20:05, 21 March 2018

Metabolite CPD-723

  • smiles:
    • CC(C)C(C)C(O)C(O)C(C)[CH]3(CC[CH]4([CH]2(CC[CH]1(CC(O)C(O)CC(C)1[CH]2CCC(C)34))))
  • common name:
    • 6-deoxocastasterone
  • inchi key:
    • InChIKey=VXBLCLVRWCLEOX-BFYSZXNBSA-N
  • molecular weight:
    • 450.701
  • Synonym(s):
    • deoxocastasterone

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • LIPID_MAPS : LMST01030127
  • PUBCHEM:
  • HMDB : HMDB33984
  • CHEBI:
  • LIGAND-CPD:
"CC(C)C(C)C(O)C(O)C(C)[CH]3(CC[CH]4([CH]2(CC[CH]1(CC(O)C(O)CC(C)1[CH]2CCC(C)34))))" cannot be used as a page name in this wiki.



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