Difference between revisions of "CPD-690"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14926 CPD-14926] == * smiles: ** CC(C)CCCC(C)CCCC(C)CCCC(C)=C[CH]=O * inchi key: ** InChIKe...")
 
(One intermediate revision by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14926 CPD-14926] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-690 CPD-690] ==
 
* smiles:
 
* smiles:
** CC(C)CCCC(C)CCCC(C)CCCC(C)=C[CH]=O
+
** 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)))))
 +
* molecular weight:
 +
** 1182.137   
 
* inchi key:
 
* inchi key:
** InChIKey=RAFZYSUICBQABU-PYDDKJGSSA-N
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** InChIKey=OCNLJCZKGHKJGF-NQYRMHKHSA-H
 
* common name:
 
* common name:
** phytenal
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** adenosyl-cobyrinate a,c-diamide
* molecular weight:
+
** 294.52   
+
 
* Synonym(s):
 
* Synonym(s):
** 2E-phytenal
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** adenosyl-cobyrinic acid a,c-diamide
** 3,7,11,15-tetramethyl-2E-hexadecenal
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** 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 ==
* [[RXN66-479]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN66-478]]
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* [[R344-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* LIPID_MAPS : LMPR0104010025
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* CHEBI:
 +
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58503 58503]
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=9900764 9900764]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=91819815 91819815]
{{#set: smiles=CC(C)CCCC(C)CCCC(C)CCCC(C)=C[CH]=O}}
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* LIGAND-CPD:
{{#set: inchi key=InChIKey=RAFZYSUICBQABU-PYDDKJGSSA-N}}
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** [http://www.genome.jp/dbget-bin/www_bget?C06506 C06506]
{{#set: common name=phytenal}}
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* HMDB : HMDB01083
{{#set: molecular weight=294.52    }}
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{{#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: common name=2E-phytenal|3,7,11,15-tetramethyl-2E-hexadecenal}}
+
{{#set: molecular weight=1182.137    }}
{{#set: consumed by=RXN66-479}}
+
{{#set: inchi key=InChIKey=OCNLJCZKGHKJGF-NQYRMHKHSA-H}}
{{#set: produced by=RXN66-478}}
+
{{#set: common name=adenosyl-cobyrinate a,c-diamide}}
 +
{{#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: produced by=R344-RXN}}

Latest revision as of 15:59, 9 January 2019

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)))))
  • molecular weight:
    • 1182.137
  • inchi key:
    • InChIKey=OCNLJCZKGHKJGF-NQYRMHKHSA-H
  • common name:
    • adenosyl-cobyrinate a,c-diamide
  • 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.