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 CPD-1301 ==
+== Metabolite CPD-17813 ==
 * common-name:
-** tetrahydropteroyl tri-l-glutamate
+** (2e,11z)-hexadec-2,11-dienoyl-coa
 * smiles:
-** c([ch]2(nc1(c(nc(=nc=1nc2)n)=o)))nc3(=cc=c(c(nc(c(=o)[o-])ccc(nc(c(=o)[o-])ccc(nc(c(=o)[o-])ccc([o-])=o)=o)=o)=o)c=c3)
+** 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:
-** rxwvhryztwzath-xslagttesa-j
+** amssmxhtrodksm-fyyfncousa-j
 * molecular-weight:
-** 699.633
+** 997.883
 == Reaction(s) known to consume the compound ==
-* [[HOMOCYSMET-RXN]]
+* [[RXN-16558]]
 == Reaction(s) known to produce the compound ==
-* [[HOMOCYSMET-RXN]]
-* [[RXN-12730]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=tetrahydropteroyl tri-l-glutamate}}
+{{#set: common-name=(2e,11z)-hexadec-2,11-dienoyl-coa}}
-{{#set: inchi-key=inchikey=rxwvhryztwzath-xslagttesa-j}}
+{{#set: inchi-key=inchikey=amssmxhtrodksm-fyyfncousa-j}}
-{{#set: molecular-weight=699.633}}
+{{#set: molecular-weight=997.883}}