Difference between revisions of "PWY-7626"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=SCOPOLIN SCOPOLIN] == * smiles: ** COC2(=CC1(=C(OC(C=C1)=O)C=C2OC3(C(C(C(O)C(CO)O3)O)O))) * inc...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-10284 CPD-10284] == * smiles: ** CCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=SCOPOLIN SCOPOLIN] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-10284 CPD-10284] ==
 
* smiles:
 
* smiles:
** COC2(=CC1(=C(OC(C=C1)=O)C=C2OC3(C(C(C(O)C(CO)O3)O)O)))
+
** CCCCCCCCCCCC(=O)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=SGTCGCCQZOUMJJ-YMILTQATSA-N
+
** InChIKey=IQNFBGHLIVBNOU-QSGBVPJFSA-J
 
* common name:
 
* common name:
** scopolin
+
** 3-oxo-myristoyl-CoA
 
* molecular weight:
 
* molecular weight:
** 354.313    
+
** 987.845    
 
* Synonym(s):
 
* Synonym(s):
 +
** 3-oxotetradecanoyl-CoA
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-14179]]
+
* [[RXN-14268]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-12507]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* NCI:
 
** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=404560 404560]
 
* CAS : 531-44-2
 
* PUBCHEM:
 
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=439514 439514]
 
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C01527 C01527]
+
** [http://www.genome.jp/dbget-bin/www_bget?C05261 C05261]
* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.307225.html 307225]
+
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16065 16065]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=62543 62543]
* METABOLIGHTS : MTBLC16065
+
* BIGG : 45449
{{#set: smiles=COC2(=CC1(=C(OC(C=C1)=O)C=C2OC3(C(C(C(O)C(CO)O3)O)O)))}}
+
* PUBCHEM:
{{#set: inchi key=InChIKey=SGTCGCCQZOUMJJ-YMILTQATSA-N}}
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25245316 25245316]
{{#set: common name=scopolin}}
+
* HMDB : HMDB03935
{{#set: molecular weight=354.313   }}
+
{{#set: smiles=CCCCCCCCCCCC(=O)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-]}}
{{#set: consumed by=RXN-14179}}
+
{{#set: inchi key=InChIKey=IQNFBGHLIVBNOU-QSGBVPJFSA-J}}
 +
{{#set: common name=3-oxo-myristoyl-CoA}}
 +
{{#set: molecular weight=987.845   }}
 +
{{#set: common name=3-oxotetradecanoyl-CoA}}
 +
{{#set: consumed by=RXN-14268}}
 +
{{#set: produced by=RXN-12507}}

Revision as of 13:30, 21 March 2018

Metabolite CPD-10284

  • smiles:
    • CCCCCCCCCCCC(=O)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=IQNFBGHLIVBNOU-QSGBVPJFSA-J
  • common name:
    • 3-oxo-myristoyl-CoA
  • molecular weight:
    • 987.845
  • Synonym(s):
    • 3-oxotetradecanoyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCCCCCCCCCCC(=O)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.