Difference between revisions of "CPD-19158"

Latest revision as of 11:14, 18 March 2021

common-name:
- 3-oxo-(9z)-hexadecenoyl-coa
smiles:
- ccccccc=ccccccc(=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:
- jdnargywmlyada-mdmkaecgsa-j
molecular-weight:
- 1013.883

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPDQT-520 ==
+== Metabolite CPD-19158 ==
 * common-name:
-** phosphatidylglycerophosphate (1-octadecenoyl(9z), 2-palmitoyl)
+** 3-oxo-(9z)-hexadecenoyl-coa
 * smiles:
-** ccccccccc=ccccccccc(=o)occ(cop(occ(o)cop([o-])(=o)[o-])([o-])=o)oc(=o)ccccccccccccccc
+** ccccccc=ccccccc(=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:
-** wqmdyqsttxrxlq-hgwhepcssa-k
+** jdnargywmlyada-mdmkaecgsa-j
 * molecular-weight:
-** 825.972
+** 1013.883
 == Reaction(s) known to consume the compound ==
-* [[RXN-13313]]
+* [[RXN-17791]]
 == Reaction(s) known to produce the compound ==
+* [[RXN-17790]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=phosphatidylglycerophosphate (1-octadecenoyl(9z), 2-palmitoyl)}}
+{{#set: common-name=3-oxo-(9z)-hexadecenoyl-coa}}
-{{#set: inchi-key=inchikey=wqmdyqsttxrxlq-hgwhepcssa-k}}
+{{#set: inchi-key=inchikey=jdnargywmlyada-mdmkaecgsa-j}}
-{{#set: molecular-weight=825.972}}
+{{#set: molecular-weight=1013.883}}