Difference between revisions of "RXN0-6491"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=OLEOYL-COA OLEOYL-COA] == * smiles: ** CCCCCCCCC=CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-10488 CPD-10488] == * smiles: ** C(=O)NC1(C(C(=O)CC([N+])C(=O)[O-])=CC=CC=1) * inchi key: *...")
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=OLEOYL-COA OLEOYL-COA] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-10488 CPD-10488] ==
 
* smiles:
 
* smiles:
** CCCCCCCCC=CCCCCCCCC(=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-]
+
** C(=O)NC1(C(C(=O)CC([N+])C(=O)[O-])=CC=CC=1)
 
* inchi key:
 
* inchi key:
** InChIKey=XDUHQPOXLUAVEE-BPMMELMSSA-J
+
** InChIKey=BYHJHXPTQMMKCA-UHFFFAOYSA-N
 
* common name:
 
* common name:
** oleoyl-CoA
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** N-formyl-D-kynurenine
 
* molecular weight:
 
* molecular weight:
** 1027.953    
+
** 236.227    
 
* Synonym(s):
 
* Synonym(s):
** oloeyl-CoA (cis)
 
** cis-octadec-9-enoyl-CoA
 
** (9Z)-octadec-9-enoyl-CoA
 
** 18:1 cis-9
 
** 18:1(n-9)
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-15044]]
 
* [[RXN-15045]]
 
* [[RXN-15043]]
 
* [[RXN-13322]]
 
* [[RXN-9601]]
 
* [[RXN-17775]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-9644]]
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* [[RXN-8664]]
* [[RXN0-7239]]
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* [[1.14.19.1-RXN]]
+
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[RXN-9670]]
 
* [[RXN-15036]]
 
 
== External links  ==
 
== External links  ==
* LIGAND-CPD:
 
** [http://www.genome.jp/dbget-bin/www_bget?C00510 C00510]
 
* CHEBI:
 
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57387 57387]
 
* METABOLIGHTS : MTBLC57387
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25245426 25245426]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25245041 25245041]
* HMDB : HMDB01322
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* CHEBI:
{{#set: smiles=CCCCCCCCC=CCCCCCCCC(=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-]}}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=55476 55476]
{{#set: inchi key=InChIKey=XDUHQPOXLUAVEE-BPMMELMSSA-J}}
+
* LIGAND-CPD:
{{#set: common name=oleoyl-CoA}}
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** [http://www.genome.jp/dbget-bin/www_bget?C15605 C15605]
{{#set: molecular weight=1027.953   }}
+
* HMDB : HMDB01200
{{#set: common name=oloeyl-CoA (cis)|cis-octadec-9-enoyl-CoA|(9Z)-octadec-9-enoyl-CoA|18:1 cis-9|18:1(n-9)}}
+
{{#set: smiles=C(=O)NC1(C(C(=O)CC([N+])C(=O)[O-])=CC=CC=1)}}
{{#set: consumed by=RXN-15044|RXN-15045|RXN-15043|RXN-13322|RXN-9601|RXN-17775}}
+
{{#set: inchi key=InChIKey=BYHJHXPTQMMKCA-UHFFFAOYSA-N}}
{{#set: produced by=RXN-9644|RXN0-7239|1.14.19.1-RXN}}
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{{#set: common name=N-formyl-D-kynurenine}}
{{#set: reversible reaction associated=RXN-9670|RXN-15036}}
+
{{#set: molecular weight=236.227   }}
 +
{{#set: produced by=RXN-8664}}

Revision as of 14:48, 21 March 2018

Metabolite CPD-10488

  • smiles:
    • C(=O)NC1(C(C(=O)CC([N+])C(=O)[O-])=CC=CC=1)
  • inchi key:
    • InChIKey=BYHJHXPTQMMKCA-UHFFFAOYSA-N
  • common name:
    • N-formyl-D-kynurenine
  • molecular weight:
    • 236.227
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C(=O)NC1(C(C(=O)CC([N+])C(=O)[O-])=CC=CC=1)" cannot be used as a page name in this wiki.