Difference between revisions of "Tiso gene 19914"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13375 CPD-13375] == * smiles: ** C1(C(C(C(C(O1)OCC2(OC(C(O)C(O)C(O)2)OC4(C(O)C(O)C(OC(COC3(...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-3617 CPD-3617] == * smiles: ** CCCCCCCCCC(=O)[O-] * common name: ** decanoate * inchi key:...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13375 CPD-13375] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-3617 CPD-3617] ==
 
* smiles:
 
* smiles:
−
** C1(C(C(C(C(O1)OCC2(OC(C(O)C(O)C(O)2)OC4(C(O)C(O)C(OC(COC3(C(C(C(CO3)O)O)O))4)OC6(C(O)C(O)C(OC(COC5(C(C(C(CO5)O)O)O))6)OC7(C(O)C(O)C(O)OC(CO)7)))))O)O)O)
+
** CCCCCCCCCC(=O)[O-]
−
* inchi key:
+
−
** InChIKey=PZUPAGRIHCRVKN-SPHBQONKSA-N
+
 
* common name:
 
* common name:
−
** XXXG xyloglucan oligosaccharide
+
** decanoate
 +
* inchi key:
 +
** InChIKey=GHVNFZFCNZKVNT-UHFFFAOYSA-M
 
* molecular weight:
 
* molecular weight:
−
** 1062.931    
+
** 171.259    
 
* Synonym(s):
 
* Synonym(s):
 +
** caprate
 +
** decanoic acid
 +
** n-decanoate
 +
** n-capric acid
 +
** caprinic acid
 +
** caprinate
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-13614]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-12400]]
 
−
* [[RXN-12399]]
 
−
* [[RXN-12398]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 +
* CAS : 334-48-5
 +
* BIGG : dca
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=52940180 52940180]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=4678093 4678093]
−
{{#set: smiles=C1(C(C(C(C(O1)OCC2(OC(C(O)C(O)C(O)2)OC4(C(O)C(O)C(OC(COC3(C(C(C(CO3)O)O)O))4)OC6(C(O)C(O)C(OC(COC5(C(C(C(CO5)O)O)O))6)OC7(C(O)C(O)C(O)OC(CO)7)))))O)O)O)}}
+
* HMDB : HMDB00511
−
{{#set: inchi key=InChIKey=PZUPAGRIHCRVKN-SPHBQONKSA-N}}
+
* LIGAND-CPD:
−
{{#set: common name=XXXG xyloglucan oligosaccharide}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C01571 C01571]
−
{{#set: molecular weight=1062.931   }}
+
* CHEMSPIDER:
−
{{#set: produced by=RXN-12400|RXN-12399|RXN-12398}}
+
** [http://www.chemspider.com/Chemical-Structure.3866366.html 3866366]
 +
* CHEBI:
 +
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=27689 27689]
 +
* METABOLIGHTS : MTBLC27689
 +
{{#set: smiles=CCCCCCCCCC(=O)[O-]}}
 +
{{#set: common name=decanoate}}
 +
{{#set: inchi key=InChIKey=GHVNFZFCNZKVNT-UHFFFAOYSA-M}}
 +
{{#set: molecular weight=171.259   }}
 +
{{#set: common name=caprate|decanoic acid|n-decanoate|n-capric acid|caprinic acid|caprinate}}
 +
{{#set: consumed by=RXN-13614}}

Revision as of 15:51, 21 March 2018

Metabolite CPD-3617

  • smiles:
    • CCCCCCCCCC(=O)[O-]
  • common name:
    • decanoate
  • inchi key:
    • InChIKey=GHVNFZFCNZKVNT-UHFFFAOYSA-M
  • molecular weight:
    • 171.259
  • Synonym(s):
    • caprate
    • decanoic acid
    • n-decanoate
    • n-capric acid
    • caprinic acid
    • caprinate

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 334-48-5
  • BIGG : dca
  • PUBCHEM:
  • HMDB : HMDB00511
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC27689
"CCCCCCCCCC(=O)[O-" cannot be used as a page name in this wiki.



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