Difference between revisions of "CPD0-2171"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-14725 RXN-14725] == * direction: ** LEFT-TO-RIGHT * common name: ** probable_nitrile_hydratase...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD0-2171 CPD0-2171] == * smiles: ** CCCCCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O...")
 
(2 intermediate revisions by the same user not shown)
Line 1: Line 1:
[[Category:Reaction]]
+
[[Category:Metabolite]]
== Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-14725 RXN-14725] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD0-2171 CPD0-2171] ==
* direction:
+
* smiles:
** LEFT-TO-RIGHT
+
** CCCCCCCCCCCC(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
 
* common name:
 
* common name:
** probable_nitrile_hydratase
+
** (S)-3-hydroxytetradecanoyl-CoA
* ec number:
+
* inchi key:
** [http://enzyme.expasy.org/EC/4.2.1.84 EC-4.2.1.84]
+
** InChIKey=OXBHKMHNDGRDCZ-STLSENOWSA-J
 +
* molecular weight:
 +
** 989.861   
 
* Synonym(s):
 
* Synonym(s):
  
== Reaction Formula ==
+
== Reaction(s) known to consume the compound ==
* With identifiers:
+
* [[RXN-12507]]
** 1 [[CPD-8860]][c] '''+''' 1 [[WATER]][c] '''=>''' 1 [[PROPIONAMIDE]][c]
+
== Reaction(s) known to produce the compound ==
* With common name(s):
+
== Reaction(s) of unknown directionality ==
** 1 propionitrile[c] '''+''' 1 H2O[c] '''=>''' 1 propionamide[c]
+
 
+
== Genes associated with this reaction  ==
+
Genes have been associated with this reaction based on different elements listed below.
+
* [[Tiso_gene_4032]]
+
** IN-SILICO_ANNOTATION
+
***EC-NUMBER
+
== Pathways  ==
+
== Reconstruction information  ==
+
* [[annotation]]:
+
** [[pathwaytools]]:
+
*** [[in-silico_annotation]]
+
 
== External links  ==
 
== External links  ==
{{#set: direction=LEFT-TO-RIGHT}}
+
* LIGAND-CPD:
{{#set: common name=probable_nitrile_hydratase}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C05260 C05260]
{{#set: ec number=EC-4.2.1.84}}
+
* HMDB : HMDB03934
{{#set: gene associated=Tiso_gene_4032}}
+
* CHEBI:
{{#set: in pathway=}}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=62614 62614]
{{#set: reconstruction category=annotation}}
+
* BIGG : 3htdcoa
{{#set: reconstruction tool=pathwaytools}}
+
* PUBCHEM:
{{#set: reconstruction source=in-silico_annotation}}
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=46173488 46173488]
 +
{{#set: smiles=CCCCCCCCCCCC(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: common name=(S)-3-hydroxytetradecanoyl-CoA}}
 +
{{#set: inchi key=InChIKey=OXBHKMHNDGRDCZ-STLSENOWSA-J}}
 +
{{#set: molecular weight=989.861    }}
 +
{{#set: consumed by=RXN-12507}}

Latest revision as of 20:01, 21 March 2018

Metabolite CPD0-2171

  • smiles:
    • CCCCCCCCCCCC(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
  • common name:
    • (S)-3-hydroxytetradecanoyl-CoA
  • inchi key:
    • InChIKey=OXBHKMHNDGRDCZ-STLSENOWSA-J
  • molecular weight:
    • 989.861
  • Synonym(s):

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(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.