Difference between revisions of "CPD-8159"

Latest revision as of 11:16, 18 March 2021

common-name:
- 1-palmitoyl-2-α-linolenoyl-phosphatidylcholine
smiles:
- ccc=ccc=ccc=ccccccccc(=o)oc(coc(=o)ccccccccccccccc)cop(=o)([o-])occ[n+](c)(c)c
inchi-key:
- jmaydgbzrhqjat-qwfqjeorsa-n
molecular-weight:
- 756.054

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-13757 ==
+== Metabolite CPD-8159 ==
 * common-name:
-** 3-[(3as,4s,5r,7as)-5-hydroxy-7a-methyl-1-oxo-octahydro-1h-inden-4-yl]-3-hydroxypropanoyl-coa
+** 1-palmitoyl-2-&alpha;-linolenoyl-phosphatidylcholine
 * smiles:
-** cc(c)(c(o)c(=o)nccc(=o)nccsc(=o)cc(o)c1(c(o)ccc2(c)(c(=o)cc[ch]12)))cop(=o)(op(=o)(occ3(c(op([o-])(=o)[o-])c(o)c(o3)n5(c4(=c(c(n)=nc=n4)n=c5))))[o-])[o-]
+** ccc=ccc=ccc=ccccccccc(=o)oc(coc(=o)ccccccccccccccc)cop(=o)([o-])occ[n+](c)(c)c
 * inchi-key:
-** gxyiojonrqgucv-swbalsfasa-j
+** jmaydgbzrhqjat-qwfqjeorsa-n
 * molecular-weight:
-** 1001.785
+** 756.054
 == Reaction(s) known to consume the compound ==
-* [[RXN-12750]]
 == Reaction(s) known to produce the compound ==
+* [[RXN-8361]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=3-[(3as,4s,5r,7as)-5-hydroxy-7a-methyl-1-oxo-octahydro-1h-inden-4-yl]-3-hydroxypropanoyl-coa}}
+{{#set: common-name=1-palmitoyl-2-&alpha;-linolenoyl-phosphatidylcholine}}
-{{#set: inchi-key=inchikey=gxyiojonrqgucv-swbalsfasa-j}}
+{{#set: inchi-key=inchikey=jmaydgbzrhqjat-qwfqjeorsa-n}}
-{{#set: molecular-weight=1001.785}}
+{{#set: molecular-weight=756.054}}