Difference between revisions of "3-oxo-cis-vaccenoyl-ACPs"

Revision as of 15:00, 5 January 2021

common-name:
- 7-oxolithocholate
smiles:
- cc([ch]3(cc[ch]4([ch]2(c(=o)c[ch]1(cc(o)ccc(c)1[ch]2ccc(c)34)))))ccc(=o)[o-]
inchi-key:
- dxocdbgwdzayrq-aurdafmxsa-m
molecular-weight:
- 389.554

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-15652 ==
+== Metabolite CPD-17275 ==
 * common-name:
-** (3r)-hydroxy, 6-trans-tridecenoyl-coa
+** 7-oxolithocholate
 * smiles:
-** ccccccc=cccc(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-]
+** cc([ch]3(cc[ch]4([ch]2(c(=o)c[ch]1(cc(o)ccc(c)1[ch]2ccc(c)34)))))ccc(=o)[o-]
 * inchi-key:
-** adzjvtnixnsngu-ovqifrbasa-j
+** dxocdbgwdzayrq-aurdafmxsa-m
 * molecular-weight:
-** 973.818
+** 389.554
 == Reaction(s) known to consume the compound ==
 == Reaction(s) known to produce the compound ==
-* [[RXN-14786]]
+* [[RXN-16033]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=(3r)-hydroxy, 6-trans-tridecenoyl-coa}}
+{{#set: common-name=7-oxolithocholate}}
-{{#set: inchi-key=inchikey=adzjvtnixnsngu-ovqifrbasa-j}}
+{{#set: inchi-key=inchikey=dxocdbgwdzayrq-aurdafmxsa-m}}
-{{#set: molecular-weight=973.818}}
+{{#set: molecular-weight=389.554}}