Difference between revisions of "SJ00186"

Revision as of 14:20, 26 August 2019

common-name:
- 3,24-dioxocholest-4-en-26-oyl-coa
smiles:
- cc(ccc(=o)c(c(=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-])c)[ch]6(cc[ch]7([ch]5(ccc4(=cc(=o)ccc(c)4[ch]5ccc(c)67))))
inchi-key:
- zvfuugbgzmbuan-kznrqmkssa-j
molecular-weight:
- 1174.098

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-16618 CPD-16618] ==
+== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13695 CPD-13695] ==
 * common-name:
-** l-malic semialdehyde
+** 3,24-dioxocholest-4-en-26-oyl-coa
 * smiles:
-** c(c(=o)[o-])c(o)[ch]=o
+** cc(ccc(=o)c(c(=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-])c)[ch]6(cc[ch]7([ch]5(ccc4(=cc(=o)ccc(c)4[ch]5ccc(c)67))))
 * inchi-key:
-** qwhdxiuuxwgqme-gsvougtgsa-m
+** zvfuugbgzmbuan-kznrqmkssa-j
 * molecular-weight:
-** 117.081
+** 1174.098
 == Reaction(s) known to consume the compound ==
-* [[RXN-6002]]
 == Reaction(s) known to produce the compound ==
+* [[RXN-12705]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=l-malic semialdehyde}}
+{{#set: common-name=3,24-dioxocholest-4-en-26-oyl-coa}}
-{{#set: inchi-key=inchikey=qwhdxiuuxwgqme-gsvougtgsa-m}}
+{{#set: inchi-key=inchikey=zvfuugbgzmbuan-kznrqmkssa-j}}
-{{#set: molecular-weight=117.081}}
+{{#set: molecular-weight=1174.098}}