Difference between revisions of "I-Antigens"

Revision as of 15:26, 5 January 2021

common-name:
- 3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-(3-oxooctanoyl)-coa
smiles:
- ccc=ccc1(c(ccc(=o)1)cccccc(=o)cc(sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op(=o)(occ2(c(op([o-])(=o)[o-])c(o)c(o2)n4(c3(=c(c(n)=nc=n3)n=c4))))[o-])[o-])=o)
inchi-key:
- yyccmactoajggw-ozvhgmpnsa-j
molecular-weight:
- 1053.904

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-14766 ==
+== Metabolite CPD-11520 ==
 * common-name:
-** 2-hydroxyhexadecanal
+** 3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-(3-oxooctanoyl)-coa
 * smiles:
-** ccccccccccccccc(o)[ch]=o
+** ccc=ccc1(c(ccc(=o)1)cccccc(=o)cc(sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op(=o)(occ2(c(op([o-])(=o)[o-])c(o)c(o2)n4(c3(=c(c(n)=nc=n3)n=c4))))[o-])[o-])=o)
 * inchi-key:
-** bkbdvqvdrvgxkt-uhfffaoysa-n
+** yyccmactoajggw-ozvhgmpnsa-j
 * molecular-weight:
-** 256.428
+** 1053.904
 == Reaction(s) known to consume the compound ==
+* [[RXN-10699]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-13729]]
+* [[RXN-10698]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=2-hydroxyhexadecanal}}
+{{#set: common-name=3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-(3-oxooctanoyl)-coa}}
-{{#set: inchi-key=inchikey=bkbdvqvdrvgxkt-uhfffaoysa-n}}
+{{#set: inchi-key=inchikey=yyccmactoajggw-ozvhgmpnsa-j}}
-{{#set: molecular-weight=256.428}}
+{{#set: molecular-weight=1053.904}}