Difference between revisions of "CPD-17387"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=TROPINE TROPINE] == * smiles: ** C[N+]1(C2(CCC1CC(O)C2)) * inchi key: ** InChIKey=CYHOMWAPJJPNM...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17387 CPD-17387] == * smiles: ** CCC=CCC=CCC=CCC=CCC=CCC=CCCC(O)CC(SCCNC(=O)CCNC(=O)C(O)C(C...")
 
(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=TROPINE TROPINE] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17387 CPD-17387] ==
 
* smiles:
 
* smiles:
** C[N+]1(C2(CCC1CC(O)C2))
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** CCC=CCC=CCC=CCC=CCC=CCC=CCCC(O)CC(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-])=O
* inchi key:
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** InChIKey=CYHOMWAPJJPNMW-JIGDXULJSA-O
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* common name:
 
* common name:
** tropine
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** (3S)-hydroxy-(6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoyl-CoA
 +
* inchi key:
 +
** InChIKey=JJCGUWRDULVWQG-DRXNPIJBSA-J
 
* molecular weight:
 
* molecular weight:
** 142.22    
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** 1118.034    
 
* Synonym(s):
 
* Synonym(s):
 +
** (3S)-hydroxy-(6Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-6,9,12,15,18,21-hexaenoyl-CoA
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-16136]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[TROPINESTERASE-RXN]]
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* [[RXN-16135]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[TROPINE-DEHYDROGENASE-RXN]]
 
 
== External links  ==
 
== External links  ==
* CAS : 120-29-6
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* PUBCHEM:
* LIGAND-CPD:
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=72193742 72193742]
** [http://www.genome.jp/dbget-bin/www_bget?C00729 C00729]
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* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57554 57554]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=76356 76356]
* NCI:
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{{#set: smiles=CCC=CCC=CCC=CCC=CCC=CCC=CCCC(O)CC(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-])=O}}
** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=43870 43870]
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{{#set: common name=(3S)-hydroxy-(6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoyl-CoA}}
{{#set: smiles=C[N+]1(C2(CCC1CC(O)C2))}}
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{{#set: inchi key=InChIKey=JJCGUWRDULVWQG-DRXNPIJBSA-J}}
{{#set: inchi key=InChIKey=CYHOMWAPJJPNMW-JIGDXULJSA-O}}
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{{#set: molecular weight=1118.034    }}
{{#set: common name=tropine}}
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{{#set: common name=(3S)-hydroxy-(6Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-6,9,12,15,18,21-hexaenoyl-CoA}}
{{#set: molecular weight=142.22    }}
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{{#set: consumed by=RXN-16136}}
{{#set: produced by=TROPINESTERASE-RXN}}
+
{{#set: produced by=RXN-16135}}
{{#set: consumed or produced by=TROPINE-DEHYDROGENASE-RXN}}
+

Latest revision as of 20:25, 21 March 2018

Metabolite CPD-17387

  • smiles:
    • CCC=CCC=CCC=CCC=CCC=CCC=CCCC(O)CC(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-])=O
  • common name:
    • (3S)-hydroxy-(6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoyl-CoA
  • inchi key:
    • InChIKey=JJCGUWRDULVWQG-DRXNPIJBSA-J
  • molecular weight:
    • 1118.034
  • Synonym(s):
    • (3S)-hydroxy-(6Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-6,9,12,15,18,21-hexaenoyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCC=CCC=CCC=CCC=CCC=CCC=CCCC(O)CC(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-])=O" cannot be used as a page name in this wiki.