Difference between revisions of "RXN-5464"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=SECOLOGANIN-CPD SECOLOGANIN-CPD] == * smiles: ** C=C[CH]1(C(OC=C(C(=O)OC)[CH](CC=O)1)OC2(OC(CO)...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=LAUROYLCOA-CPD LAUROYLCOA-CPD] == * smiles: ** CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=SECOLOGANIN-CPD SECOLOGANIN-CPD] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=LAUROYLCOA-CPD LAUROYLCOA-CPD] ==
 
* smiles:
 
* smiles:
** C=C[CH]1(C(OC=C(C(=O)OC)[CH](CC=O)1)OC2(OC(CO)C(O)C(O)C(O)2))
+
** CCCCCCCCCCCC(=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=CSKKDSFETGLMSB-NRZPKYKESA-N
+
** InChIKey=YMCXGHLSVALICC-GMHMEAMDSA-J
 
* common name:
 
* common name:
** secologanin
+
** lauroyl-CoA
 
* molecular weight:
 
* molecular weight:
** 388.371    
+
** 945.808    
 
* Synonym(s):
 
* Synonym(s):
** (-)-secologanin
+
** dodecanoyl-CoA (n-C12:0CoA)
 +
** lauroyl coenzyme A
 +
** dodecanoyl-CoA
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[STRICTOSIDINE-SYNTHASE-RXN]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-16393]]
 +
* [[RXN-14268]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* LIPID_MAPS : LMPR0102070002
+
* CAS : 6244-92-4
 +
* BIGG : 38504
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=161276 161276]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25113193 25113193]
* CHEMSPIDER:
+
* HMDB : HMDB03571
** [http://www.chemspider.com/Chemical-Structure.141670.html 141670]
+
* CHEBI:
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=18002 18002]
+
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C01852 C01852]
+
** [http://www.genome.jp/dbget-bin/www_bget?C01832 C01832]
{{#set: smiles=C=C[CH]1(C(OC=C(C(=O)OC)[CH](CC=O)1)OC2(OC(CO)C(O)C(O)C(O)2))}}
+
* CHEBI:
{{#set: inchi key=InChIKey=CSKKDSFETGLMSB-NRZPKYKESA-N}}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57375 57375]
{{#set: common name=secologanin}}
+
* METABOLIGHTS : MTBLC57375
{{#set: molecular weight=388.371   }}
+
{{#set: smiles=CCCCCCCCCCCC(=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-]}}
{{#set: common name=(-)-secologanin}}
+
{{#set: inchi key=InChIKey=YMCXGHLSVALICC-GMHMEAMDSA-J}}
{{#set: consumed by=STRICTOSIDINE-SYNTHASE-RXN}}
+
{{#set: common name=lauroyl-CoA}}
 +
{{#set: molecular weight=945.808   }}
 +
{{#set: common name=dodecanoyl-CoA (n-C12:0CoA)|lauroyl coenzyme A|dodecanoyl-CoA}}
 +
{{#set: produced by=RXN-16393|RXN-14268}}

Revision as of 22:32, 17 March 2018

Metabolite LAUROYLCOA-CPD

  • smiles:
    • CCCCCCCCCCCC(=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=YMCXGHLSVALICC-GMHMEAMDSA-J
  • common name:
    • lauroyl-CoA
  • molecular weight:
    • 945.808
  • Synonym(s):
    • dodecanoyl-CoA (n-C12:0CoA)
    • lauroyl coenzyme A
    • dodecanoyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 6244-92-4
  • BIGG : 38504
  • PUBCHEM:
  • HMDB : HMDB03571
  • LIGAND-CPD:
  • CHEBI:
  • METABOLIGHTS : MTBLC57375
"CCCCCCCCCCCC(=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.