Difference between revisions of "CPDQT-39"

Latest revision as of 20:51, 21 March 2018

"CSCCCCCCC(C(O)C(=O)[O-])C(=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=CPD-19488 CPD-19488] ==
+== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPDQT-39 CPDQT-39] ==
 * smiles:
-** CSCCCCCCC(C(=O)C(=O)[O-])C(=O)[O-]
+** CSCCCCCCC(C(O)C(=O)[O-])C(=O)[O-]
 * common name:
-** 3-isopropyl-9-(methylthio)-2-oxononanoate
+** 3-(6'-methylthio)hexylmalate
 * inchi key:
-** InChIKey=PBYOKOGRHHZTHQ-UHFFFAOYSA-L
+** InChIKey=LQQZHLHCFSCJCU-UHFFFAOYSA-L
 * molecular weight:
-** 260.304
+** 262.32
 * Synonym(s):
+** 3-(6'-methylthio)hexylmalic acid
 == Reaction(s) known to consume the compound ==
-* [[RXN-18203]]
+* [[RXNQT-4174]]
 == Reaction(s) known to produce the compound ==
 == Reaction(s) of unknown directionality ==
 * [[RXN-18202]]
 == External links  ==
-{{#set: smiles=CSCCCCCCC(C(=O)C(=O)[O-])C(=O)[O-]}}
+* PUBCHEM:
-{{#set: common name=3-isopropyl-9-(methylthio)-2-oxononanoate}}
+** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=44237339 44237339]
-{{#set: inchi key=InChIKey=PBYOKOGRHHZTHQ-UHFFFAOYSA-L}}
+{{#set: smiles=CSCCCCCCC(C(O)C(=O)[O-])C(=O)[O-]}}
-{{#set: molecular weight=260.304    }}
+{{#set: common name=3-(6'-methylthio)hexylmalate}}
-{{#set: consumed by=RXN-18203}}
+{{#set: inchi key=InChIKey=LQQZHLHCFSCJCU-UHFFFAOYSA-L}}
+{{#set: molecular weight=262.32    }}
+{{#set: common name=3-(6'-methylthio)hexylmalic acid}}
+{{#set: consumed by=RXNQT-4174}}
 {{#set: reversible reaction associated=RXN-18202}}