Difference between revisions of "CPD1F-4"

Latest revision as of 11:18, 18 March 2021

common-name:
- (3s,5r,6r)-3,5-dihydroxy-6,7-didehydro-5,6-dihydro-12'-apo-β-caroten-12'-al
smiles:
- cc(=cc=cc=c(c)c=o)c=cc=c(c)c=c=c1(c(o)(c)cc(o)cc(c)(c)1)
inchi-key:
- mfdugtooxgorrx-orglzdqcsa-n
molecular-weight:
- 382.542

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-17348 ==
+== Metabolite CPD1F-4 ==
 * common-name:
-** (2e, 11z,14z)-icosa-2,11,14-trienoyl-coa
+** (3s,5r,6r)-3,5-dihydroxy-6,7-didehydro-5,6-dihydro-12'-apo-&beta;-caroten-12'-al
 * smiles:
-** cccccc=ccc=ccccccccc=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-]
+** cc(=cc=cc=c(c)c=o)c=cc=c(c)c=c=c1(c(o)(c)cc(o)cc(c)(c)1)
 * inchi-key:
-** jlhullpftgligf-dbyuabgnsa-j
+** mfdugtooxgorrx-orglzdqcsa-n
 * molecular-weight:
-** 1051.975
+** 382.542
 == Reaction(s) known to consume the compound ==
-* [[RXN-16097]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-16096]]
+* [[RXN-698]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=(2e, 11z,14z)-icosa-2,11,14-trienoyl-coa}}
+{{#set: common-name=(3s,5r,6r)-3,5-dihydroxy-6,7-didehydro-5,6-dihydro-12'-apo-&beta;-caroten-12'-al}}
-{{#set: inchi-key=inchikey=jlhullpftgligf-dbyuabgnsa-j}}
+{{#set: inchi-key=inchikey=mfdugtooxgorrx-orglzdqcsa-n}}
-{{#set: molecular-weight=1051.975}}
+{{#set: molecular-weight=382.542}}