Difference between revisions of "CPD-17813"

Latest revision as of 11:12, 18 March 2021

common-name:
- (2e,11z)-hexadec-2,11-dienoyl-coa
smiles:
- ccccc=ccccccccc=cc(=o)sccnc(=o)ccnc(c(o)c(c)(c)cop([o-])(=o)op([o-])(=o)occ1(c(op(=o)([o-])[o-])c(o)c(o1)n3(c=nc2(c(n)=nc=nc=23))))=o
inchi-key:
- amssmxhtrodksm-fyyfncousa-j
molecular-weight:
- 997.883

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite OH-PYR ==
+== Metabolite CPD-17813 ==
 * common-name:
-** hydroxypyruvate
+** (2e,11z)-hexadec-2,11-dienoyl-coa
 * smiles:
-** c(c(=o)c([o-])=o)o
+** ccccc=ccccccccc=cc(=o)sccnc(=o)ccnc(c(o)c(c)(c)cop([o-])(=o)op([o-])(=o)occ1(c(op(=o)([o-])[o-])c(o)c(o1)n3(c=nc2(c(n)=nc=nc=23))))=o
 * inchi-key:
-** hhddccuiiuwngj-uhfffaoysa-m
+** amssmxhtrodksm-fyyfncousa-j
 * molecular-weight:
-** 103.054
+** 997.883
 == Reaction(s) known to consume the compound ==
-* [[HYDROXYPYRUVATE-REDUCTASE-RXN]]
+* [[RXN-16558]]
 == Reaction(s) known to produce the compound ==
-* [[HYDROXYPYRUVATE-REDUCTASE-RXN]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=hydroxypyruvate}}
+{{#set: common-name=(2e,11z)-hexadec-2,11-dienoyl-coa}}
-{{#set: inchi-key=inchikey=hhddccuiiuwngj-uhfffaoysa-m}}
+{{#set: inchi-key=inchikey=amssmxhtrodksm-fyyfncousa-j}}
-{{#set: molecular-weight=103.054}}
+{{#set: molecular-weight=997.883}}