Difference between revisions of "CPD0-1470"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-15678 CPD-15678] == * smiles: ** CCCCCCC=CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP...")
 
 
(3 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-15678 CPD-15678] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD0-1470 CPD0-1470] ==
 
* smiles:
 
* smiles:
** CCCCCCC=CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]
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** C(N)(=[N+])N
 +
* molecular weight:
 +
** 95.531   
 
* inchi key:
 
* inchi key:
** InChIKey=XBFQFVLNMJDDNG-DUPKWVSKSA-J
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** InChIKey=ZRALSGWEFCBTJO-UHFFFAOYSA-O
 
* common name:
 
* common name:
** 4-trans-3-oxo-undecenoyl-CoA
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** guanidinium
* molecular weight:
+
** 943.749   
+
 
* Synonym(s):
 
* Synonym(s):
** 4E-3-oxo-undecenoyl-CoA
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** guanidine
 +
** diaminomethaniminium
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-14793]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-12535]]
 +
* [[RXN-13396]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 +
* CHEBI:
 +
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=30087 30087]
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90658908 90658908]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=32838 32838]
{{#set: smiles=CCCCCCC=CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]}}
+
* CHEMSPIDER:
{{#set: inchi key=InChIKey=XBFQFVLNMJDDNG-DUPKWVSKSA-J}}
+
** [http://www.chemspider.com/Chemical-Structure.30426.html 30426]
{{#set: common name=4-trans-3-oxo-undecenoyl-CoA}}
+
{{#set: smiles=C(N)(=[N+])N}}
{{#set: molecular weight=943.749    }}
+
{{#set: molecular weight=95.531    }}
{{#set: common name=4E-3-oxo-undecenoyl-CoA}}
+
{{#set: inchi key=InChIKey=ZRALSGWEFCBTJO-UHFFFAOYSA-O}}
{{#set: consumed by=RXN-14793}}
+
{{#set: common name=guanidinium}}
 +
{{#set: common name=guanidine|diaminomethaniminium}}
 +
{{#set: produced by=RXN-12535|RXN-13396}}

Latest revision as of 16:02, 9 January 2019

Metabolite CPD0-1470

  • smiles:
    • C(N)(=[N+])N
  • molecular weight:
    • 95.531
  • inchi key:
    • InChIKey=ZRALSGWEFCBTJO-UHFFFAOYSA-O
  • common name:
    • guanidinium
  • Synonym(s):
    • guanidine
    • diaminomethaniminium

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C(N)(=[N+])N" cannot be used as a page name in this wiki.