Difference between revisions of "DETHIOBIOTIN"

Revision as of 08:24, 15 March 2021

common-name:
- 3-oxo-tetracosatetraenoyl-coa
smiles:
- cccccc=ccc=ccc=ccc=ccccccc(=o)cc(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-])=o
inchi-key:
- wsalicwlarpulc-gjykhrjnsa-j
molecular-weight:
- 1120.05

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite 3-HEXAPRENYL-45-DIHYDROXYBENZOATE ==
+== Metabolite CPD-17329 ==
 * common-name:
-** 3,4-dihydroxy-5-all-trans-hexaprenylbenzoate
+** 3-oxo-tetracosatetraenoyl-coa
 * smiles:
-** cc(=cccc(=cccc(=cccc(=cccc(=cccc(=ccc1(=c(c(=cc(c([o-])=o)=c1)o)o))c)c)c)c)c)c
+** cccccc=ccc=ccc=ccc=ccccccc(=o)cc(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-])=o
 * inchi-key:
-** vepicjbqcouqpi-irvxxiiisa-m
+** wsalicwlarpulc-gjykhrjnsa-j
 * molecular-weight:
-** 561.823
+** 1120.05
 == Reaction(s) known to consume the compound ==
-* [[2.1.1.114-RXN]]
+* [[RXN-17109]]
 == Reaction(s) known to produce the compound ==
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=3,4-dihydroxy-5-all-trans-hexaprenylbenzoate}}
+{{#set: common-name=3-oxo-tetracosatetraenoyl-coa}}
-{{#set: inchi-key=inchikey=vepicjbqcouqpi-irvxxiiisa-m}}
+{{#set: inchi-key=inchikey=wsalicwlarpulc-gjykhrjnsa-j}}
-{{#set: molecular-weight=561.823}}
+{{#set: molecular-weight=1120.05}}