Difference between revisions of "Ec-19 000290"

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(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...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=COB-I-ALAMIN COB-I-ALAMIN] == * smiles: ** CC%10(=C(C)C=C9(N8(C%12(OC(CO)C(OP([O-])(=O)OC(C)CNC...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=THZ-P THZ-P] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=COB-I-ALAMIN COB-I-ALAMIN] ==
 
* smiles:
 
* smiles:
−
** CC1(N=CSC(CCOP([O-])(=O)[O-])=1)
+
** CC%10(=C(C)C=C9(N8(C%12(OC(CO)C(OP([O-])(=O)OC(C)CNC(=O)CCC1(C)(C(CC(N)=O)[CH]%11(C7(C)(C(C)(CC(N)=O)C(CCC(=O)N)C6(C(C)=C5(C(CC(=O)N)(C)C(CCC(N)=O)C4(C=C3(C(C)(C)C(CCC(N)=O)C2(C(C)=C1N([Co----]([N+]=23)([N+]=45)([N+]=67)[N+](=C8)C9=C%10)%11)))))))))C(O)%12))))
 
* inchi key:
 
* inchi key:
−
** InChIKey=OCYMERZCMYJQQO-UHFFFAOYSA-L
+
** InChIKey=OMAOKVYASDIYQG-DSRCUDDDSA-L
 
* common name:
 
* common name:
−
** 4-methyl-5-(2-phosphooxyethyl)thiazole
+
** cob(I)alamin
 
* molecular weight:
 
* molecular weight:
−
** 221.167    
+
** 1329.36    
 
* Synonym(s):
 
* Synonym(s):
−
** 4-4-methyl-5-(2-phosphonooxyethyl)-thiazole
+
** cobalamin
−
** 4-methyl-5-(2-phosphoethyl)-thiazole
+
** B12s
−
** THZ-P
+
−
** 4-methyl-5-(β-hydroxyethyl)thiazole phosphate
+
−
** HET-P
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[THI-P-SYN-RXN]]
+
* [[TransportSeed_COB-I-ALAMIN]]
 +
* [[COBALADENOSYLTRANS-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[THIAZOLSYN3-RXN]]
+
* [[TransportSeed_COB-I-ALAMIN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[ExchangeSeed_COB-I-ALAMIN]]
 
== External links  ==
 
== External links  ==
 +
* CAS : 18534-66-2
 +
* BIGG : 36205
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25245616 25245616]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5460183 5460183]
−
* CHEBI:
+
* HMDB : HMDB03429
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58296 58296]
+
−
* BIGG : 43602
+
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C04327 C04327]
+
** [http://www.genome.jp/dbget-bin/www_bget?C00853 C00853]
−
{{#set: smiles=CC1(N=CSC(CCOP([O-])(=O)[O-])=1)}}
+
* CHEMSPIDER:
−
{{#set: inchi key=InChIKey=OCYMERZCMYJQQO-UHFFFAOYSA-L}}
+
** [http://www.chemspider.com/Chemical-Structure.4573816.html 4573816]
−
{{#set: common name=4-methyl-5-(2-phosphooxyethyl)thiazole}}
+
* CHEBI:
−
{{#set: molecular weight=221.167   }}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15982 15982]
−
{{#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}}
+
* METABOLIGHTS : MTBLC15982
−
{{#set: consumed by=THI-P-SYN-RXN}}
+
{{#set: smiles=CC%10(=C(C)C=C9(N8(C%12(OC(CO)C(OP([O-])(=O)OC(C)CNC(=O)CCC1(C)(C(CC(N)=O)[CH]%11(C7(C)(C(C)(CC(N)=O)C(CCC(=O)N)C6(C(C)=C5(C(CC(=O)N)(C)C(CCC(N)=O)C4(C=C3(C(C)(C)C(CCC(N)=O)C2(C(C)=C1N([Co----]([N+]=23)([N+]=45)([N+]=67)[N+](=C8)C9=C%10)%11)))))))))C(O)%12))))}}
−
{{#set: produced by=THIAZOLSYN3-RXN}}
+
{{#set: inchi key=InChIKey=OMAOKVYASDIYQG-DSRCUDDDSA-L}}
 +
{{#set: common name=cob(I)alamin}}
 +
{{#set: molecular weight=1329.36   }}
 +
{{#set: common name=cobalamin|B12s}}
 +
{{#set: consumed by=TransportSeed_COB-I-ALAMIN|COBALADENOSYLTRANS-RXN}}
 +
{{#set: produced by=TransportSeed_COB-I-ALAMIN}}
 +
{{#set: reversible reaction associated=ExchangeSeed_COB-I-ALAMIN}}

Revision as of 21:34, 17 March 2018

Metabolite COB-I-ALAMIN

  • smiles:
    • CC%10(=C(C)C=C9(N8(C%12(OC(CO)C(OP([O-])(=O)OC(C)CNC(=O)CCC1(C)(C(CC(N)=O)[CH]%11(C7(C)(C(C)(CC(N)=O)C(CCC(=O)N)C6(C(C)=C5(C(CC(=O)N)(C)C(CCC(N)=O)C4(C=C3(C(C)(C)C(CCC(N)=O)C2(C(C)=C1N([Co----]([N+]=23)([N+]=45)([N+]=67)[N+](=C8)C9=C%10)%11)))))))))C(O)%12))))
  • inchi key:
    • InChIKey=OMAOKVYASDIYQG-DSRCUDDDSA-L
  • common name:
    • cob(I)alamin
  • molecular weight:
    • 1329.36
  • Synonym(s):
    • cobalamin
    • B12s

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 18534-66-2
  • BIGG : 36205
  • PUBCHEM:
  • HMDB : HMDB03429
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC15982
"CC%10(=C(C)C=C9(N8(C%12(OC(CO)C(OP([O-])(=O)OC(C)CNC(=O)CCC1(C)(C(CC(N)=O)[CH]%11(C7(C)(C(C)(CC(N)=O)C(CCC(=O)N)C6(C(C)=C5(C(CC(=O)N)(C)C(CCC(N)=O)C4(C=C3(C(C)(C)C(CCC(N)=O)C2(C(C)=C1N([Co----]([N+]=23)([N+]=45)([N+]=67)[N+](=C8)C9=C%10)%11)))))))))C(O)%12))))" cannot be used as a page name in this wiki.




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