Difference between revisions of "CPD-315"

Latest revision as of 11:17, 18 March 2021

common-name:
- cyanocob(iii)alamin
smiles:
- cc4(=c(c)c=c3(n2(c%12(oc(co)c(op(=o)(o[ch](c)cnc(=o)ccc1(c)(c(cc(=o)n)[ch]%11(c8(c)(c(cc(=o)n)(c)c(ccc(=o)n)c7(c(c)=c%10(c(cc(=o)n)(c)c(ccc(=o)n)c9(c=c6(c(c)(c)c(ccc(=o)n)c5(c(c)=c1n([co---]([n+](=c2)c3=c4)(c#n)([n+]=56)([n+]=78)[n+]=9%10)%11)))))))))[o-])c(o)%12))))
inchi-key:
- rmrcnwbmxrmirw-wzhzpdafsa-l
molecular-weight:
- 1355.377

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite ALPHA-METHYL-5-ALPHA-ERGOSTA ==
+== Metabolite CPD-315 ==
 * common-name:
-** 4&alpha;-methyl-5&alpha;-ergosta-8,14,24(28)-trien-3&beta;-ol
+** cyanocob(iii)alamin
 * smiles:
-** cc(c)c(=c)ccc(c)[ch]3(cc=c4(c2(cc[ch]1(c(c)c(o)ccc(c)1c=2ccc(c)34))))
+** cc4(=c(c)c=c3(n2(c%12(oc(co)c(op(=o)(o[ch](c)cnc(=o)ccc1(c)(c(cc(=o)n)[ch]%11(c8(c)(c(cc(=o)n)(c)c(ccc(=o)n)c7(c(c)=c%10(c(cc(=o)n)(c)c(ccc(=o)n)c9(c=c6(c(c)(c)c(ccc(=o)n)c5(c(c)=c1n([co---]([n+](=c2)c3=c4)(c#n)([n+]=56)([n+]=78)[n+]=9%10)%11)))))))))[o-])c(o)%12))))
 * inchi-key:
-** hlawvowadpnagn-bahzufoisa-n
+** rmrcnwbmxrmirw-wzhzpdafsa-l
 * molecular-weight:
-** 410.682
+** 1355.377
 == Reaction(s) known to consume the compound ==
-* [[RXN-4144]]
+* [[ExchangeSeed-CPD-315]]
+* [[TransportSeed-CPD-315]]
 == Reaction(s) known to produce the compound ==
-* [[1.14.13.70-RXN]]
+* [[ExchangeSeed-CPD-315]]
+* [[TransportSeed-CPD-315]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=4&alpha;-methyl-5&alpha;-ergosta-8,14,24(28)-trien-3&beta;-ol}}
+{{#set: common-name=cyanocob(iii)alamin}}
-{{#set: inchi-key=inchikey=hlawvowadpnagn-bahzufoisa-n}}
+{{#set: inchi-key=inchikey=rmrcnwbmxrmirw-wzhzpdafsa-l}}
-{{#set: molecular-weight=410.682}}
+{{#set: molecular-weight=1355.377}}