Difference between revisions of "PWY-6039"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PTEROATE PTEROATE] == * smiles: ** C(NC1(C=CC(C(=O)[O-])=CC=1))C2(C=NC3(N=C(N)NC(=O)C(N=2)=3))...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD0-2253 CPD0-2253] == * smiles: ** CCCCCCCCCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-]...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PTEROATE PTEROATE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD0-2253 CPD0-2253] ==
 
* smiles:
 
* smiles:
** C(NC1(C=CC(C(=O)[O-])=CC=1))C2(C=NC3(N=C(N)NC(=O)C(N=2)=3))
+
** CCCCCCCCCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O
 
* inchi key:
 
* inchi key:
** InChIKey=JOAQINSXLLMRCV-UHFFFAOYSA-M
+
** InChIKey=WZMAIEGYXCOYSH-SFKGBVSGSA-J
 
* common name:
 
* common name:
** pteroate
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** (S)-3-hydroxy-stearoyl-CoA
 
* molecular weight:
 
* molecular weight:
** 311.279    
+
** 1045.968    
 
* Synonym(s):
 
* Synonym(s):
** 4-{[(2-amino-4-hydroxypteridin-6-yl)methyl]amino}benzoate
+
** (S)-3-Hydroxyoctadecanoyl-CoA
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[ECOAH8]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[3.4.17.11-RXN]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* CAS : 119-24-4
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6951470 6951470]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90657405 90657405]
* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.5324366.html 5324366]
+
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=38793 38793]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=87561 87561]
* LIGAND-CPD:
+
* BIGG : 3hodcoa
** [http://www.genome.jp/dbget-bin/www_bget?C07582 C07582]
+
* METABOLIGHTS : MTBLC50577
{{#set: smiles=C(NC1(C=CC(C(=O)[O-])=CC=1))C2(C=NC3(N=C(N)NC(=O)C(N=2)=3))}}
+
{{#set: smiles=CCCCCCCCCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O}}
{{#set: inchi key=InChIKey=JOAQINSXLLMRCV-UHFFFAOYSA-M}}
+
{{#set: inchi key=InChIKey=WZMAIEGYXCOYSH-SFKGBVSGSA-J}}
{{#set: common name=pteroate}}
+
{{#set: common name=(S)-3-hydroxy-stearoyl-CoA}}
{{#set: molecular weight=311.279   }}
+
{{#set: molecular weight=1045.968   }}
{{#set: common name=4-{[(2-amino-4-hydroxypteridin-6-yl)methyl]amino}benzoate}}
+
{{#set: common name=(S)-3-Hydroxyoctadecanoyl-CoA}}
{{#set: produced by=3.4.17.11-RXN}}
+
{{#set: consumed by=ECOAH8}}

Revision as of 17:21, 10 January 2018

Metabolite CPD0-2253

  • smiles:
    • CCCCCCCCCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O
  • inchi key:
    • InChIKey=WZMAIEGYXCOYSH-SFKGBVSGSA-J
  • common name:
    • (S)-3-hydroxy-stearoyl-CoA
  • molecular weight:
    • 1045.968
  • Synonym(s):
    • (S)-3-Hydroxyoctadecanoyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • PUBCHEM:
  • CHEBI:
  • BIGG : 3hodcoa
  • METABOLIGHTS : MTBLC50577
"CCCCCCCCCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O" cannot be used as a page name in this wiki.