Difference between revisions of "ADENOSYLCOBALAMIN"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-110 CPD-110] == * smiles: ** C(C1(=CC=CC=C1O))([O-])=O * inchi key: ** InChIKey=YGSDEFSMJLZ...")
 
 
(2 intermediate revisions by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-110 CPD-110] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ADENOSYLCOBALAMIN ADENOSYLCOBALAMIN] ==
 
* smiles:
 
* smiles:
−
** C(C1(=CC=CC=C1O))([O-])=O
+
** CC%15(C=C%13(C(N%12(C%14(OC(CO)C(OP([O-])(=O)OC(C)CNC(=O)CCC1(C(CC(N)=O)C2(C4(C)(C(C)(CC(N)=O)C(CCC(=O)N)C3(C(C)=C6(C(CC(=O)N)(C(CCC(N)=O)C5(C=C8(C(C)(C)C(CCC(N)=O)C7(C(C)=C1N2[Co---]([N+]=34)([N+]=56)([N+]=78)(CC9(C(C(O)C(O9)N%10(C=NC%11(C%10=NC=NC=%11N)))O))[N+](=C%12)%13))))C)))))(C))C(O)%14)))=CC(C)=%15))
 +
* molecular weight:
 +
** 1579.596   
 
* inchi key:
 
* inchi key:
−
** InChIKey=YGSDEFSMJLZEOE-UHFFFAOYSA-M
+
** InChIKey=ZIHHMGTYZOSFRC-YGHJOQEPSA-L
 
* common name:
 
* common name:
−
** salicylate
+
** adenosylcobalamin
−
* molecular weight:
+
−
** 137.115   
+
 
* Synonym(s):
 
* Synonym(s):
−
** salicylic acid
+
** coenzyme B12
−
** o-hydroxybenzoic acid
+
** cobamide coenzyme
−
** 2-hydroxybenzoic acid
+
** deoxyadenosylcobalamin
−
** SA
+
** cobamamide
−
** 2-HBA
+
** vitamin B12
−
** 2-hydroxybenzoate
+
** cobamamid
−
** o-hydroxybenzoate
+
** 5,6-dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide
 +
** (5'-deoxy-5'-adenosyl)cobamide coenzyme
 +
** (5,6-dimethylbenzimidazolyl)cobamide coenzyme
 +
** 5'-deoxy-5'-adenosylcobalamin
 +
** 5'-deoxyadenosyl vitamin B12
 +
** 5'-deoxyadenosyl-5,6-dimethylbenzimidazolylcobamide
 +
** 5'-deoxyadenosylcobalamin
 +
** 5,6-dimethylbenzimidazolyl-Co-5'-deoxyadenosylcobamide
 +
** calomide
 +
** cobalamin coenzyme
 +
** dibencozide
 +
** funacomide
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[TransportSeed_ADENOSYLCOBALAMIN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXNQT-4366]]
+
* [[TransportSeed_ADENOSYLCOBALAMIN]]
 +
* [[COBALADENOSYLTRANS-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[ExchangeSeed_ADENOSYLCOBALAMIN]]
 
== External links  ==
 
== External links  ==
−
* CAS : 69-72-7
+
* METABOLIGHTS : MTBLC18408
−
* Wikipedia : Salicylate
+
* BIGG : adocbl
−
* PUBCHEM:
+
* CAS : 13870-90-1
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=54675850 54675850]
+
* HMDB : HMDB02086
−
* KNAPSACK : C00000206
+
−
* HMDB : HMDB01895
+
−
* LIGAND-CPD:
+
−
** [http://www.genome.jp/dbget-bin/www_bget?C00805 C00805]
+
−
* CHEMSPIDER:
+
−
** [http://www.chemspider.com/Chemical-Structure.4964.html 4964]
+
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=30762 30762]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=18408 18408]
−
{{#set: smiles=C(C1(=CC=CC=C1O))([O-])=O}}
+
* LIGAND-CPD:
−
{{#set: inchi key=InChIKey=YGSDEFSMJLZEOE-UHFFFAOYSA-M}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C00194 C00194]
−
{{#set: common name=salicylate}}
+
* PUBCHEM:
−
{{#set: molecular weight=137.115    }}
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=91820207 91820207]
−
{{#set: common name=salicylic acid|o-hydroxybenzoic acid|2-hydroxybenzoic acid|SA|2-HBA|2-hydroxybenzoate|o-hydroxybenzoate}}
+
{{#set: smiles=CC%15(C=C%13(C(N%12(C%14(OC(CO)C(OP([O-])(=O)OC(C)CNC(=O)CCC1(C(CC(N)=O)C2(C4(C)(C(C)(CC(N)=O)C(CCC(=O)N)C3(C(C)=C6(C(CC(=O)N)(C(CCC(N)=O)C5(C=C8(C(C)(C)C(CCC(N)=O)C7(C(C)=C1N2[Co---]([N+]=34)([N+]=56)([N+]=78)(CC9(C(C(O)C(O9)N%10(C=NC%11(C%10=NC=NC=%11N)))O))[N+](=C%12)%13))))C)))))(C))C(O)%14)))=CC(C)=%15))}}
−
{{#set: produced by=RXNQT-4366}}
+
{{#set: molecular weight=1579.596    }}
 +
{{#set: inchi key=InChIKey=ZIHHMGTYZOSFRC-YGHJOQEPSA-L}}
 +
{{#set: common name=adenosylcobalamin}}
 +
{{#set: common name=coenzyme B12|cobamide coenzyme|deoxyadenosylcobalamin|cobamamide|vitamin B12|cobamamid|5,6-dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide|(5'-deoxy-5'-adenosyl)cobamide coenzyme|(5,6-dimethylbenzimidazolyl)cobamide coenzyme|5'-deoxy-5'-adenosylcobalamin|5'-deoxyadenosyl vitamin B12|5'-deoxyadenosyl-5,6-dimethylbenzimidazolylcobamide|5'-deoxyadenosylcobalamin|5,6-dimethylbenzimidazolyl-Co-5'-deoxyadenosylcobamide|calomide|cobalamin coenzyme|dibencozide|funacomide}}
 +
{{#set: consumed by=TransportSeed_ADENOSYLCOBALAMIN}}
 +
{{#set: produced by=TransportSeed_ADENOSYLCOBALAMIN|COBALADENOSYLTRANS-RXN}}
 +
{{#set: reversible reaction associated=ExchangeSeed_ADENOSYLCOBALAMIN}}

Latest revision as of 16:09, 9 January 2019

Metabolite ADENOSYLCOBALAMIN

  • smiles:
    • CC%15(C=C%13(C(N%12(C%14(OC(CO)C(OP([O-])(=O)OC(C)CNC(=O)CCC1(C(CC(N)=O)C2(C4(C)(C(C)(CC(N)=O)C(CCC(=O)N)C3(C(C)=C6(C(CC(=O)N)(C(CCC(N)=O)C5(C=C8(C(C)(C)C(CCC(N)=O)C7(C(C)=C1N2[Co---]([N+]=34)([N+]=56)([N+]=78)(CC9(C(C(O)C(O9)N%10(C=NC%11(C%10=NC=NC=%11N)))O))[N+](=C%12)%13))))C)))))(C))C(O)%14)))=CC(C)=%15))
  • molecular weight:
    • 1579.596
  • inchi key:
    • InChIKey=ZIHHMGTYZOSFRC-YGHJOQEPSA-L
  • common name:
    • adenosylcobalamin
  • Synonym(s):
    • coenzyme B12
    • cobamide coenzyme
    • deoxyadenosylcobalamin
    • cobamamide
    • vitamin B12
    • cobamamid
    • 5,6-dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide
    • (5'-deoxy-5'-adenosyl)cobamide coenzyme
    • (5,6-dimethylbenzimidazolyl)cobamide coenzyme
    • 5'-deoxy-5'-adenosylcobalamin
    • 5'-deoxyadenosyl vitamin B12
    • 5'-deoxyadenosyl-5,6-dimethylbenzimidazolylcobamide
    • 5'-deoxyadenosylcobalamin
    • 5,6-dimethylbenzimidazolyl-Co-5'-deoxyadenosylcobamide
    • calomide
    • cobalamin coenzyme
    • dibencozide
    • funacomide

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • METABOLIGHTS : MTBLC18408
  • BIGG : adocbl
  • CAS : 13870-90-1
  • HMDB : HMDB02086
  • CHEBI:
  • LIGAND-CPD:
  • PUBCHEM:
"CC%15(C=C%13(C(N%12(C%14(OC(CO)C(OP([O-])(=O)OC(C)CNC(=O)CCC1(C(CC(N)=O)C2(C4(C)(C(C)(CC(N)=O)C(CCC(=O)N)C3(C(C)=C6(C(CC(=O)N)(C(CCC(N)=O)C5(C=C8(C(C)(C)C(CCC(N)=O)C7(C(C)=C1N2[Co---]([N+]=34)([N+]=56)([N+]=78)(CC9(C(C(O)C(O9)N%10(C=NC%11(C%10=NC=NC=%11N)))O))[N+](=C%12)%13))))C)))))(C))C(O)%14)))=CC(C)=%15))" cannot be used as a page name in this wiki.




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