Difference between revisions of "Cis-delta21-3-oxo-C40-ACPs"

Revision as of 17:49, 13 January 2021

common-name:
- campestanol
molecular-weight:
- 402.702
inchi-key:
- arytxmneanmlmu-atedbjntsa-n
smiles:
- cc(c)c(c)ccc(c)[ch]3(cc[ch]4([ch]2(cc[ch]1(cc(o)ccc(c)1[ch]2ccc(c)34))))

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-19151 ==
+== Metabolite CPD-710 ==
 * common-name:
-** (s)-3-hydroxy-(5z)-dodecenoyl-coa
+** campestanol
 * molecular-weight:
-** 959.791
+** 402.702
 * inchi-key:
-** ayordfmyybnsbo-qccsjadrsa-j
+** arytxmneanmlmu-atedbjntsa-n
 * smiles:
-** ccccccc=ccc(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)c(c)ccc(c)[ch]3(cc[ch]4([ch]2(cc[ch]1(cc(o)ccc(c)1[ch]2ccc(c)34))))
 == Reaction(s) known to consume the compound ==
-* [[RXN-17798]]
+* [[RXN-773]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-17797]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=(s)-3-hydroxy-(5z)-dodecenoyl-coa}}
+{{#set: common-name=campestanol}}
-{{#set: molecular-weight=959.791}}
+{{#set: molecular-weight=402.702}}
-{{#set: inchi-key=inchikey=ayordfmyybnsbo-qccsjadrsa-j}}
+{{#set: inchi-key=inchikey=arytxmneanmlmu-atedbjntsa-n}}