Difference between revisions of "CPD-15369"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-259 CPD-259] == * smiles: ** C1(=CC(=CC=C1N)O) * inchi key: ** InChIKey=PLIKAWJENQZMHA-UHFF...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-15369 CPD-15369] == * smiles: ** CCCCCCC(O)CC=CCCCCCCCC(O)CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)CO...")
 
(2 intermediate revisions by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-259 CPD-259] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-15369 CPD-15369] ==
 
* smiles:
 
* smiles:
−
** C1(=CC(=CC=C1N)O)
+
** CCCCCCC(O)CC=CCCCCCCCC(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:
+
−
** InChIKey=PLIKAWJENQZMHA-UHFFFAOYSA-N
+
 
* common name:
 
* common name:
−
** 4-aminophenol
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** 3R-hydroxy-lesqueroloyl-CoA
 +
* inchi key:
 +
** InChIKey=CHMQNMKVOYFHHX-SGPQCWJRSA-J
 
* molecular weight:
 
* molecular weight:
−
** 109.127    
+
** 1088.005    
 
* Synonym(s):
 
* Synonym(s):
−
** 4-hydroxyaniline
 
−
** p-aminophenol
 
−
** 4-aminobenzenol
 
−
** p-hydroxyaniline
 
−
** p-aminobenzenol
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[AMINOPARATHION-PHOSPHATASE-RXN]]
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* [[RXN-14493]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
−
* CAS : 123-30-8
 
 
* PUBCHEM:
 
* PUBCHEM:
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=403 403]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=91819813 91819813]
−
* HMDB : HMDB01169
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{{#set: smiles=CCCCCCC(O)CC=CCCCCCCCC(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}}
−
* LIGAND-CPD:
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{{#set: common name=3R-hydroxy-lesqueroloyl-CoA}}
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** [http://www.genome.jp/dbget-bin/www_bget?C02372 C02372]
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{{#set: inchi key=InChIKey=CHMQNMKVOYFHHX-SGPQCWJRSA-J}}
−
* CHEMSPIDER:
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{{#set: molecular weight=1088.005    }}
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** [http://www.chemspider.com/Chemical-Structure.392.html 392]
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{{#set: produced by=RXN-14493}}
−
* CHEBI:
+
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17602 17602]
+
−
* METABOLIGHTS : MTBLC17602
+
−
{{#set: smiles=C1(=CC(=CC=C1N)O)}}
+
−
{{#set: inchi key=InChIKey=PLIKAWJENQZMHA-UHFFFAOYSA-N}}
+
−
{{#set: common name=4-aminophenol}}
+
−
{{#set: molecular weight=109.127    }}
+
−
{{#set: common name=4-hydroxyaniline|p-aminophenol|4-aminobenzenol|p-hydroxyaniline|p-aminobenzenol}}
+
−
{{#set: produced by=AMINOPARATHION-PHOSPHATASE-RXN}}
+

Latest revision as of 20:12, 21 March 2018

Metabolite CPD-15369

  • smiles:
    • CCCCCCC(O)CC=CCCCCCCCC(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:
    • 3R-hydroxy-lesqueroloyl-CoA
  • inchi key:
    • InChIKey=CHMQNMKVOYFHHX-SGPQCWJRSA-J
  • molecular weight:
    • 1088.005
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCCCCCC(O)CC=CCCCCCCCC(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.



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