Difference between revisions of "CPD-15685"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=SPERMINE SPERMINE] == * smiles: ** C(CCC[N+]CCC[N+])[N+]CCC[N+] * inchi key: ** InChIKey=PFNFFQ...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-15685 CPD-15685] == * smiles: ** CCCCCCC=CC=CCC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O...")
 
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=SPERMINE SPERMINE] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-15685 CPD-15685] ==
 
* smiles:
 
* smiles:
** C(CCC[N+]CCC[N+])[N+]CCC[N+]
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** CCCCCCC=CC=CCC=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-]
 
* inchi key:
 
* inchi key:
** InChIKey=PFNFFQXMRSDOHW-UHFFFAOYSA-R
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** InChIKey=XPVHXTGUZGACRU-MCFMHTHASA-J
 
* common name:
 
* common name:
** spermine
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** 2-trans, 5-cis, 7-trans-tetradecatrienoyl-CoA
 
* molecular weight:
 
* molecular weight:
** 206.374    
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** 967.814    
 
* Synonym(s):
 
* Synonym(s):
** gerontine
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** 2E, 5Z, 7E-tetradecatrienoyl-CoA
** musculamine
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** neuridine
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** diaminopropyl-tetramethylenediamine
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== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[SPERMINE-SYNTHASE-RXN]]
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* [[RXN-14796]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* CAS : 71-44-3
 
* DRUGBANK : DB02564
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=446718 446718]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90657959 90657959]
* HMDB : HMDB01256
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{{#set: smiles=CCCCCCC=CC=CCC=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-]}}
* LIGAND-CPD:
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{{#set: inchi key=InChIKey=XPVHXTGUZGACRU-MCFMHTHASA-J}}
** [http://www.genome.jp/dbget-bin/www_bget?C00750 C00750]
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{{#set: common name=2-trans, 5-cis, 7-trans-tetradecatrienoyl-CoA}}
* CHEMSPIDER:
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{{#set: molecular weight=967.814   }}
** [http://www.chemspider.com/Chemical-Structure.394003.html 394003]
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{{#set: common name=2E, 5Z, 7E-tetradecatrienoyl-CoA}}
* CHEBI:
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{{#set: produced by=RXN-14796}}
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=45725 45725]
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* METABOLIGHTS : MTBLC45725
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{{#set: smiles=C(CCC[N+]CCC[N+])[N+]CCC[N+]}}
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{{#set: inchi key=InChIKey=PFNFFQXMRSDOHW-UHFFFAOYSA-R}}
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{{#set: common name=spermine}}
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{{#set: molecular weight=206.374   }}
+
{{#set: common name=gerontine|musculamine|neuridine|diaminopropyl-tetramethylenediamine}}
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{{#set: produced by=SPERMINE-SYNTHASE-RXN}}
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Latest revision as of 19:57, 21 March 2018

Metabolite CPD-15685

  • smiles:
    • CCCCCCC=CC=CCC=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-]
  • inchi key:
    • InChIKey=XPVHXTGUZGACRU-MCFMHTHASA-J
  • common name:
    • 2-trans, 5-cis, 7-trans-tetradecatrienoyl-CoA
  • molecular weight:
    • 967.814
  • Synonym(s):
    • 2E, 5Z, 7E-tetradecatrienoyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCCCCCC=CC=CCC=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-" cannot be used as a page name in this wiki.