Difference between revisions of "Ec-25 000920"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=HOMO-CIT HOMO-CIT] == * smiles: ** C(C([O-])=O)CC(O)(C([O-])=O)CC([O-])=O * inchi key: ** InChI...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=THZ-P THZ-P] == * smiles: ** CC1(N=CSC(CCOP([O-])(=O)[O-])=1) * inchi key: ** InChIKey=OCYMERZC...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=HOMO-CIT HOMO-CIT] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=THZ-P THZ-P] ==
 
* smiles:
 
* smiles:
−
** C(C([O-])=O)CC(O)(C([O-])=O)CC([O-])=O
+
** CC1(N=CSC(CCOP([O-])(=O)[O-])=1)
 
* inchi key:
 
* inchi key:
−
** InChIKey=XKJVEVRQMLKSMO-SSDOTTSWSA-K
+
** InChIKey=OCYMERZCMYJQQO-UHFFFAOYSA-L
 
* common name:
 
* common name:
−
** (2R)-homocitrate
+
** 4-methyl-5-(2-phosphooxyethyl)thiazole
 
* molecular weight:
 
* molecular weight:
−
** 203.128    
+
** 221.167    
 
* Synonym(s):
 
* Synonym(s):
−
** 2-hydroxybutane-1,2,4-tricarboxylate
+
** 4-4-methyl-5-(2-phosphonooxyethyl)-thiazole
−
** homocitric acid
+
** 4-methyl-5-(2-phosphoethyl)-thiazole
−
** 3-hydroxy-3-carboxyadipic acid
+
** THZ-P
−
** (2R)-2-hydroxybutane-1,2,4-tricarboxylate
+
** 4-methyl-5-(β-hydroxyethyl)thiazole phosphate
−
** (R)-2-hydroxybutane-1,2,4-tricarboxylate
+
** HET-P
−
** homocitrate
+
−
** (R)-homocitrate
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN3O-1983]]
+
* [[THI-P-SYN-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[THIAZOLSYN3-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[RXN-13722]]
 
 
== External links  ==
 
== External links  ==
−
* CAS : 3562-74-1
 
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=20849228 20849228]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25245616 25245616]
−
* HMDB : HMDB03518
+
−
* LIGAND-CPD:
+
−
** [http://www.genome.jp/dbget-bin/www_bget?C01251 C01251]
+
−
* CHEMSPIDER:
+
−
** [http://www.chemspider.com/Chemical-Structure.20171681.html 20171681]
+
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58884 58884]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58296 58296]
−
{{#set: smiles=C(C([O-])=O)CC(O)(C([O-])=O)CC([O-])=O}}
+
* BIGG : 43602
−
{{#set: inchi key=InChIKey=XKJVEVRQMLKSMO-SSDOTTSWSA-K}}
+
* LIGAND-CPD:
−
{{#set: common name=(2R)-homocitrate}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C04327 C04327]
−
{{#set: molecular weight=203.128   }}
+
{{#set: smiles=CC1(N=CSC(CCOP([O-])(=O)[O-])=1)}}
−
{{#set: common name=2-hydroxybutane-1,2,4-tricarboxylate|homocitric acid|3-hydroxy-3-carboxyadipic acid|(2R)-2-hydroxybutane-1,2,4-tricarboxylate|(R)-2-hydroxybutane-1,2,4-tricarboxylate|homocitrate|(R)-homocitrate}}
+
{{#set: inchi key=InChIKey=OCYMERZCMYJQQO-UHFFFAOYSA-L}}
−
{{#set: consumed by=RXN3O-1983}}
+
{{#set: common name=4-methyl-5-(2-phosphooxyethyl)thiazole}}
−
{{#set: reversible reaction associated=RXN-13722}}
+
{{#set: molecular weight=221.167   }}
 +
{{#set: common name=4-4-methyl-5-(2-phosphonooxyethyl)-thiazole|4-methyl-5-(2-phosphoethyl)-thiazole|THZ-P|4-methyl-5-(β-hydroxyethyl)thiazole phosphate|HET-P}}
 +
{{#set: consumed by=THI-P-SYN-RXN}}
 +
{{#set: produced by=THIAZOLSYN3-RXN}}

Revision as of 13:43, 21 March 2018

Metabolite THZ-P

  • smiles:
    • CC1(N=CSC(CCOP([O-])(=O)[O-])=1)
  • inchi key:
    • InChIKey=OCYMERZCMYJQQO-UHFFFAOYSA-L
  • common name:
    • 4-methyl-5-(2-phosphooxyethyl)thiazole
  • molecular weight:
    • 221.167
  • Synonym(s):
    • 4-4-methyl-5-(2-phosphonooxyethyl)-thiazole
    • 4-methyl-5-(2-phosphoethyl)-thiazole
    • THZ-P
    • 4-methyl-5-(β-hydroxyethyl)thiazole phosphate
    • HET-P

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC1(N=CSC(CCOP([O-])(=O)[O-])=1)" cannot be used as a page name in this wiki.




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