Difference between revisions of "CPD-7733"

Revision as of 15:30, 5 January 2021

common-name:
- 6-cis, 3-oxo-tridecenoyl-coa
smiles:
- ccccccc=cccc(=o)cc(=o)sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op(=o)(occ1(c(op([o-])(=o)[o-])c(o)c(o1)n3(c2(=c(c(n)=nc=n2)n=c3))))[o-])[o-]
inchi-key:
- fdxhxlpclxeysu-dxazuofzsa-j
molecular-weight:
- 971.802

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-8078 ==
+== Metabolite CPD-15667 ==
 * common-name:
-** 1-18:3-2-16:2-monogalactosyldiacylglycerol
+** 6-cis, 3-oxo-tridecenoyl-coa
 * smiles:
-** ccc=ccc=ccc=ccccccccc(occ(coc1(oc(c(c(c1o)o)o)co))oc(cccccc=ccc=cccccc)=o)=o
+** ccccccc=cccc(=o)cc(=o)sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op(=o)(occ1(c(op([o-])(=o)[o-])c(o)c(o1)n3(c2(=c(c(n)=nc=n2)n=c3))))[o-])[o-]
 * inchi-key:
-** wsmybuvbfwdmec-sbpcighssa-n
+** fdxhxlpclxeysu-dxazuofzsa-j
 * molecular-weight:
-** 749.036
+** 971.802
 == Reaction(s) known to consume the compound ==
-* [[RXN-8309]]
+* [[RXN-14774]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-8299]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=1-18:3-2-16:2-monogalactosyldiacylglycerol}}
+{{#set: common-name=6-cis, 3-oxo-tridecenoyl-coa}}
-{{#set: inchi-key=inchikey=wsmybuvbfwdmec-sbpcighssa-n}}
+{{#set: inchi-key=inchikey=fdxhxlpclxeysu-dxazuofzsa-j}}
-{{#set: molecular-weight=749.036}}
+{{#set: molecular-weight=971.802}}