Difference between revisions of "NTDP"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=OH OH] == * smiles: ** [O-] * inchi key: ** InChIKey=XLYOFNOQVPJJNP-UHFFFAOYSA-M * common name:...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPDQT-40 CPDQT-40] == * smiles: ** CSCCCCCCCC(C(O)C(=O)[O-])C(=O)[O-] * inchi key: ** InChIKey=...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=OH OH] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPDQT-40 CPDQT-40] ==
 
* smiles:
 
* smiles:
** [O-]
+
** CSCCCCCCCC(C(O)C(=O)[O-])C(=O)[O-]
 
* inchi key:
 
* inchi key:
** InChIKey=XLYOFNOQVPJJNP-UHFFFAOYSA-M
+
** InChIKey=SXLJFGXGVBWOOB-UHFFFAOYSA-L
 
* common name:
 
* common name:
** OH-
+
** 3-(7'-methylthio)heptylmalate
 
* molecular weight:
 
* molecular weight:
** 18.015    
+
** 276.347    
 
* Synonym(s):
 
* Synonym(s):
** hydroxyl
+
** 3-(7'-methylthio)heptylmalic acid
** hydroxyl ion
+
** OH
+
** hydroxide
+
** hydroxide ion
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXNQT-4178]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-12540]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[RXN-18200]]
 
== External links  ==
 
== External links  ==
* CAS : 14280-30-9
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=961 961]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=44237172 44237172]
* HMDB : HMDB01039
+
{{#set: smiles=CSCCCCCCCC(C(O)C(=O)[O-])C(=O)[O-]}}
* LIGAND-CPD:
+
{{#set: inchi key=InChIKey=SXLJFGXGVBWOOB-UHFFFAOYSA-L}}
** [http://www.genome.jp/dbget-bin/www_bget?C01328 C01328]
+
{{#set: common name=3-(7'-methylthio)heptylmalate}}
* CHEMSPIDER:
+
{{#set: molecular weight=276.347   }}
** [http://www.chemspider.com/Chemical-Structure.936.html 936]
+
{{#set: common name=3-(7'-methylthio)heptylmalic acid}}
* CHEBI:
+
{{#set: consumed by=RXNQT-4178}}
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16234 16234]
+
{{#set: consumed or produced by=RXN-18200}}
{{#set: smiles=[O-]}}
+
{{#set: inchi key=InChIKey=XLYOFNOQVPJJNP-UHFFFAOYSA-M}}
+
{{#set: common name=OH-}}
+
{{#set: molecular weight=18.015   }}
+
{{#set: common name=hydroxyl|hydroxyl ion|OH|hydroxide|hydroxide ion}}
+
{{#set: produced by=RXN-12540}}
+

Revision as of 18:35, 10 January 2018

Metabolite CPDQT-40

  • smiles:
    • CSCCCCCCCC(C(O)C(=O)[O-])C(=O)[O-]
  • inchi key:
    • InChIKey=SXLJFGXGVBWOOB-UHFFFAOYSA-L
  • common name:
    • 3-(7'-methylthio)heptylmalate
  • molecular weight:
    • 276.347
  • Synonym(s):
    • 3-(7'-methylthio)heptylmalic acid

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CSCCCCCCCC(C(O)C(=O)[O-])C(=O)[O-" cannot be used as a page name in this wiki.