Difference between revisions of "CPD-19492"

Latest revision as of 21:08, 21 March 2018

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

@@ Line 1: / Line 1: @@
 [[Category:Metabolite]]
-== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPDQT-29 CPDQT-29] ==
+== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-19492 CPD-19492] ==
 * smiles:
-** CSCCCCCCC(=O)C([O-])=O
+** CCC(C([O-])=O)C(C(=O)[O-])=O
-* inchi key:
-** InChIKey=QDZNKMGEHAHOTA-UHFFFAOYSA-M
 * common name:
-** 8-(methylthio)-2-oxooctanoate
+** 3-ethyl-2-oxosuccinate
+* inchi key:
+** InChIKey=OUGLPIHDPBRSID-UHFFFAOYSA-L
 * molecular weight:
-** 203.276
+** 158.11
 * Synonym(s):
-** 8-(methylthio)-2-oxooctanoic acid
 == Reaction(s) known to consume the compound ==
+* [[RXN-18211]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-18205]]
-* [[RXNQT-4171]]
 == Reaction(s) of unknown directionality ==
+* [[RXN-18210]]
 == External links  ==
-* PUBCHEM:
+{{#set: smiles=CCC(C([O-])=O)C(C(=O)[O-])=O}}
-** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=44237313 44237313]
+{{#set: common name=3-ethyl-2-oxosuccinate}}
-* KNAPSACK : C00007643
+{{#set: inchi key=InChIKey=OUGLPIHDPBRSID-UHFFFAOYSA-L}}
-{{#set: smiles=CSCCCCCCC(=O)C([O-])=O}}
+{{#set: molecular weight=158.11    }}
-{{#set: inchi key=InChIKey=QDZNKMGEHAHOTA-UHFFFAOYSA-M}}
+{{#set: consumed by=RXN-18211}}
-{{#set: common name=8-(methylthio)-2-oxooctanoate}}
+{{#set: reversible reaction associated=RXN-18210}}
-{{#set: molecular weight=203.276    }}
-{{#set: common name=8-(methylthio)-2-oxooctanoic acid}}
-{{#set: produced by=RXN-18205|RXNQT-4171}}