Difference between revisions of "CPD-17624"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-3481 CPD-3481] == * smiles: ** CC([N+]C(C)(C)C)C(=O)C1(C=CC=C(Cl)C=1) * inchi key: ** InChI...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17624 CPD-17624] == * smiles: ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCC=CCCCCCCCC(=O)[O-]...")
 
(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-3481 CPD-3481] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17624 CPD-17624] ==
 
* smiles:
 
* smiles:
** CC([N+]C(C)(C)C)C(=O)C1(C=CC=C(Cl)C=1)
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** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCC=CCCCCCCCC(=O)[O-])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=SNPPWIUOZRMYNY-UHFFFAOYSA-O
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** InChIKey=IISWKVFHQLAOMW-BTFUZUOASA-I
 
* common name:
 
* common name:
** bupropion
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** ω-carboxy-(9Z)-octadec-9-enoyl-CoA
 
* molecular weight:
 
* molecular weight:
** 240.752    
+
** 1056.928    
 
* Synonym(s):
 
* Synonym(s):
** (-)-2-(tert-butylamino)-3'-chloropropiophenone
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** 18-carboxyl oleoyl-CoA
** 1-propanone, 1-(3-chlorophenyl)-2-((1,1-dimethylethyl)amino)-,(+-)-
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** (+-)-1-(3-chlorophenyl)-2-((1,1-dimethylethyl)amino)-1-propanone
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** amfebutamonum
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** α-(tert-butylamino)-m-chloropropiophenone
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN66-181]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-16418]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* DRUGBANK : DB01156
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=24849133 24849133]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=91820430 91820430]
* CHEBI:
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{{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCC=CCCCCCCCC(=O)[O-])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-]}}
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=3219 3219]
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{{#set: inchi key=InChIKey=IISWKVFHQLAOMW-BTFUZUOASA-I}}
* LIGAND-CPD:
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{{#set: common name=ω-carboxy-(9Z)-octadec-9-enoyl-CoA}}
** [http://www.genome.jp/dbget-bin/www_bget?C06860 C06860]
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{{#set: molecular weight=1056.928   }}
* HMDB : HMDB01510
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{{#set: common name=18-carboxyl oleoyl-CoA}}
{{#set: smiles=CC([N+]C(C)(C)C)C(=O)C1(C=CC=C(Cl)C=1)}}
+
{{#set: produced by=RXN-16418}}
{{#set: inchi key=InChIKey=SNPPWIUOZRMYNY-UHFFFAOYSA-O}}
+
{{#set: common name=bupropion}}
+
{{#set: molecular weight=240.752   }}
+
{{#set: common name=(-)-2-(tert-butylamino)-3'-chloropropiophenone|1-propanone, 1-(3-chlorophenyl)-2-((1,1-dimethylethyl)amino)-,(+-)-|(+-)-1-(3-chlorophenyl)-2-((1,1-dimethylethyl)amino)-1-propanone|amfebutamonum|α-(tert-butylamino)-m-chloropropiophenone}}
+
{{#set: consumed by=RXN66-181}}
+

Latest revision as of 19:54, 21 March 2018

Metabolite CPD-17624

  • smiles:
    • CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCC=CCCCCCCCC(=O)[O-])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=IISWKVFHQLAOMW-BTFUZUOASA-I
  • common name:
    • ω-carboxy-(9Z)-octadec-9-enoyl-CoA
  • molecular weight:
    • 1056.928
  • Synonym(s):
    • 18-carboxyl oleoyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCC=CCCCCCCCC(=O)[O-])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.