Difference between revisions of "CPD-4702"

Latest revision as of 11:18, 18 March 2021

common-name:
- 4α-carboxy-5α-cholesta-8,24-dien-3β-ol
smiles:
- cc(c)=cccc(c)[ch]3(cc[ch]4(c2(cc[ch]1(c(c([o-])=o)c(o)ccc(c)1c=2ccc(c)34))))
inchi-key:
- jhiwifrqjxlneu-gsqagghasa-m
molecular-weight:
- 427.646

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-19160 ==
+== Metabolite CPD-4702 ==
 * common-name:
-** 3-oxo-(11z)-octadecenoyl-coa
+** 4&alpha;-carboxy-5&alpha;-cholesta-8,24-dien-3&beta;-ol
 * smiles:
-** ccccccc=ccccccccc(=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(c)=cccc(c)[ch]3(cc[ch]4(c2(cc[ch]1(c(c([o-])=o)c(o)ccc(c)1c=2ccc(c)34))))
 * inchi-key:
-** ourowzutgfhrje-saiinbspsa-j
+** jhiwifrqjxlneu-gsqagghasa-m
 * molecular-weight:
-** 1041.936
+** 427.646
 == Reaction(s) known to consume the compound ==
-* [[RXN-17787]]
+* [[RXN66-318]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-17786]]
+* [[RXN-13709]]
+* [[RXN-13709-4-METHYL-824-CHOLESTADIENOL/NADH/OXYGEN-MOLECULE/PROTON//CPD-4702/NAD/WATER.76.]]
+* [[RXN-13709-4-METHYL-824-CHOLESTADIENOL/NADPH/OXYGEN-MOLECULE/PROTON//CPD-4702/NADP/WATER.78.]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=3-oxo-(11z)-octadecenoyl-coa}}
+{{#set: common-name=4&alpha;-carboxy-5&alpha;-cholesta-8,24-dien-3&beta;-ol}}
-{{#set: inchi-key=inchikey=ourowzutgfhrje-saiinbspsa-j}}
+{{#set: inchi-key=inchikey=jhiwifrqjxlneu-gsqagghasa-m}}
-{{#set: molecular-weight=1041.936}}
+{{#set: molecular-weight=427.646}}