Difference between revisions of "PWY-2722"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=BETAINE_ALDEHYDE BETAINE_ALDEHYDE] == * smiles: ** C[N+](C)(C[CH]=O)C * inchi key: ** InChIKey=...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-690 CPD-690] == * smiles: ** CC5(=C%10(C(C)(CCC([O-])=O)C(CC(=O)[O-])C9(C%11(C)(C(C)(CC(N)=...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=BETAINE_ALDEHYDE BETAINE_ALDEHYDE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-690 CPD-690] ==
 
* smiles:
 
* smiles:
−
** C[N+](C)(C[CH]=O)C
+
** CC5(=C%10(C(C)(CCC([O-])=O)C(CC(=O)[O-])C9(C%11(C)(C(C)(CC(N)=O)C(CCC([O-])=O)C1(=[N+]([Co--]3([N+]2(C(=C(C)1)C(C)(CC(N)=O)C(CCC([O-])=O)C=2C=C4(C(C)(C)C(CCC([O-])=O)C(=[N+]34)5)))(CC6(C(C(O)C(O6)N7(C=NC8(=C7N=CN=C8N)))O))N9%10)%11)))))
 
* inchi key:
 
* inchi key:
−
** InChIKey=SXKNCCSPZDCRFD-UHFFFAOYSA-N
+
** InChIKey=OCNLJCZKGHKJGF-NQYRMHKHSA-H
 
* common name:
 
* common name:
−
** betaine aldehyde
+
** adenosyl-cobyrinate a,c-diamide
 
* molecular weight:
 
* molecular weight:
−
** 102.156    
+
** 1182.137    
 
* Synonym(s):
 
* Synonym(s):
−
** glycine betaine aldehyde
+
** adenosyl-cobyrinic acid a,c-diamide
−
** N,N,N-trimethyl-2-oxoethylammonium
+
** Adenosyl cobyrinate diamide
 +
** Adenosylcob(III)yrinic acid a,c-diamide
 +
** Adenosylcobyrinic acid a,c-diamide
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-17758]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN0-7230]]
+
* [[R344-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[BADH-RXN]]
 
−
* [[CHD-RXN]]
 
−
* [[RXN-6268]]
 
 
== External links  ==
 
== External links  ==
−
* CAS : 7418-61-3
 
−
* METABOLIGHTS : MTBLC15710
 
−
* DRUGBANK : DB04401
 
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=249 249]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=91819815 91819815]
−
* HMDB : HMDB01252
+
−
* LIGAND-CPD:
+
−
** [http://www.genome.jp/dbget-bin/www_bget?C00576 C00576]
+
−
* CHEMSPIDER:
+
−
** [http://www.chemspider.com/Chemical-Structure.244.html 244]
+
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15710 15710]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58503 58503]
−
* BIGG : betald
+
* LIGAND-CPD:
−
{{#set: smiles=C[N+](C)(C[CH]=O)C}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C06506 C06506]
−
{{#set: inchi key=InChIKey=SXKNCCSPZDCRFD-UHFFFAOYSA-N}}
+
* HMDB : HMDB01083
−
{{#set: common name=betaine aldehyde}}
+
{{#set: smiles=CC5(=C%10(C(C)(CCC([O-])=O)C(CC(=O)[O-])C9(C%11(C)(C(C)(CC(N)=O)C(CCC([O-])=O)C1(=[N+]([Co--]3([N+]2(C(=C(C)1)C(C)(CC(N)=O)C(CCC([O-])=O)C=2C=C4(C(C)(C)C(CCC([O-])=O)C(=[N+]34)5)))(CC6(C(C(O)C(O6)N7(C=NC8(=C7N=CN=C8N)))O))N9%10)%11)))))}}
−
{{#set: molecular weight=102.156   }}
+
{{#set: inchi key=InChIKey=OCNLJCZKGHKJGF-NQYRMHKHSA-H}}
−
{{#set: common name=glycine betaine aldehyde|N,N,N-trimethyl-2-oxoethylammonium}}
+
{{#set: common name=adenosyl-cobyrinate a,c-diamide}}
−
{{#set: consumed by=RXN-17758}}
+
{{#set: molecular weight=1182.137   }}
−
{{#set: produced by=RXN0-7230}}
+
{{#set: common name=adenosyl-cobyrinic acid a,c-diamide|Adenosyl cobyrinate diamide|Adenosylcob(III)yrinic acid a,c-diamide|Adenosylcobyrinic acid a,c-diamide}}
−
{{#set: consumed or produced by=BADH-RXN|CHD-RXN|RXN-6268}}
+
{{#set: produced by=R344-RXN}}

Revision as of 18:16, 18 March 2018

Metabolite CPD-690

  • smiles:
    • CC5(=C%10(C(C)(CCC([O-])=O)C(CC(=O)[O-])C9(C%11(C)(C(C)(CC(N)=O)C(CCC([O-])=O)C1(=[N+]([Co--]3([N+]2(C(=C(C)1)C(C)(CC(N)=O)C(CCC([O-])=O)C=2C=C4(C(C)(C)C(CCC([O-])=O)C(=[N+]34)5)))(CC6(C(C(O)C(O6)N7(C=NC8(=C7N=CN=C8N)))O))N9%10)%11)))))
  • inchi key:
    • InChIKey=OCNLJCZKGHKJGF-NQYRMHKHSA-H
  • common name:
    • adenosyl-cobyrinate a,c-diamide
  • molecular weight:
    • 1182.137
  • Synonym(s):
    • adenosyl-cobyrinic acid a,c-diamide
    • Adenosyl cobyrinate diamide
    • Adenosylcob(III)yrinic acid a,c-diamide
    • Adenosylcobyrinic acid a,c-diamide

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC5(=C%10(C(C)(CCC([O-])=O)C(CC(=O)[O-])C9(C%11(C)(C(C)(CC(N)=O)C(CCC([O-])=O)C1(=[N+]([Co--]3([N+]2(C(=C(C)1)C(C)(CC(N)=O)C(CCC([O-])=O)C=2C=C4(C(C)(C)C(CCC([O-])=O)C(=[N+]34)5)))(CC6(C(C(O)C(O6)N7(C=NC8(=C7N=CN=C8N)))O))N9%10)%11)))))" cannot be used as a page name in this wiki.



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