Difference between revisions of "PWY-4984"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PHYTOL PHYTOL] == * smiles: ** CC(C)CCCC(C)CCCC(C)CCCC(C)=CCO * inchi key: ** InChIKey=BOTWFXYS...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12482 CPD-12482] == * smiles: ** CN1(C(=O)NC2(=C1C(=O)NC(=O)N(C)2)) * inchi key: ** InChIKe...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PHYTOL PHYTOL] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12482 CPD-12482] ==
 
* smiles:
 
* smiles:
** CC(C)CCCC(C)CCCC(C)CCCC(C)=CCO
+
** CN1(C(=O)NC2(=C1C(=O)NC(=O)N(C)2))
 
* inchi key:
 
* inchi key:
** InChIKey=BOTWFXYSPFMFNR-PYDDKJGSSA-N
+
** InChIKey=HMLZLHKHNBLLJD-UHFFFAOYSA-N
 
* common name:
 
* common name:
** phytol
+
** 3,7-dimethylurate
 
* molecular weight:
 
* molecular weight:
** 296.535    
+
** 196.165    
 
* Synonym(s):
 
* Synonym(s):
** trans-phytol
+
** 3,7-dimethyluric acid
** (2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-ol
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-7683]]
 
* [[RXN66-478]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-11519]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* LIPID_MAPS : LMPR0104010002
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5280435 5280435]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=83126 83126]
* HMDB : HMDB02019
+
* HMDB : HMDB01982
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C01389 C01389]
+
** [http://www.genome.jp/dbget-bin/www_bget?C16360 C16360]
 
* CHEMSPIDER:
 
* CHEMSPIDER:
** [http://www.chemspider.com/Chemical-Structure.4444094.html 4444094]
+
** [http://www.chemspider.com/Chemical-Structure.74994.html 74994]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17327 17327]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=68531 68531]
* METABOLIGHTS : MTBLC17327
+
* METABOLIGHTS : MTBLC68531
{{#set: smiles=CC(C)CCCC(C)CCCC(C)CCCC(C)=CCO}}
+
{{#set: smiles=CN1(C(=O)NC2(=C1C(=O)NC(=O)N(C)2))}}
{{#set: inchi key=InChIKey=BOTWFXYSPFMFNR-PYDDKJGSSA-N}}
+
{{#set: inchi key=InChIKey=HMLZLHKHNBLLJD-UHFFFAOYSA-N}}
{{#set: common name=phytol}}
+
{{#set: common name=3,7-dimethylurate}}
{{#set: molecular weight=296.535   }}
+
{{#set: molecular weight=196.165   }}
{{#set: common name=trans-phytol|(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-ol}}
+
{{#set: common name=3,7-dimethyluric acid}}
{{#set: consumed by=RXN-7683|RXN66-478}}
+
{{#set: produced by=RXN-11519}}

Revision as of 11:48, 18 January 2018

Metabolite CPD-12482

  • smiles:
    • CN1(C(=O)NC2(=C1C(=O)NC(=O)N(C)2))
  • inchi key:
    • InChIKey=HMLZLHKHNBLLJD-UHFFFAOYSA-N
  • common name:
    • 3,7-dimethylurate
  • molecular weight:
    • 196.165
  • Synonym(s):
    • 3,7-dimethyluric acid

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • PUBCHEM:
  • HMDB : HMDB01982
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC68531