Difference between revisions of "Holo-VibB"

Revision as of 08:28, 15 March 2021

common-name:
- mycophenolic acid phenolic glucuronide
smiles:
- cc(ccc([o-])=o)=ccc2(=c(c(c)=c3(coc(=o)c(=c(oc1(c(o)c(c(o)c(c([o-])=o)o1)o))2)3))oc)
inchi-key:
- byfgtsayqqiucn-hgihdbqlsa-l
molecular-weight:
- 494.451

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite 2-DEHYDROPANTOATE ==
+== Metabolite CPD-14604 ==
 * common-name:
-** 2-dehydropantoate
+** mycophenolic acid phenolic glucuronide
 * smiles:
-** cc(c(=o)c([o-])=o)(co)c
+** cc(ccc([o-])=o)=ccc2(=c(c(c)=c3(coc(=o)c(=c(oc1(c(o)c(c(o)c(c([o-])=o)o1)o))2)3))oc)
 * inchi-key:
-** pkvvtuwhanfmqc-uhfffaoysa-m
+** byfgtsayqqiucn-hgihdbqlsa-l
 * molecular-weight:
-** 145.135
+** 494.451
 == Reaction(s) known to consume the compound ==
-* [[2-DEHYDROPANTOATE-REDUCT-RXN]]
-* [[3-CH3-2-OXOBUTANOATE-OH-CH3-XFER-RXN]]
-* [[KETOPANTOALDOLASE-RXN]]
-* [[MOHMT]]
 == Reaction(s) known to produce the compound ==
-* [[3-CH3-2-OXOBUTANOATE-OH-CH3-XFER-RXN]]
+* [[RXN-13608]]
-* [[KETOPANTOALDOLASE-RXN]]
-* [[MOHMT]]
-* [[MTMOHT]]
-* [[RXN-15635]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=2-dehydropantoate}}
+{{#set: common-name=mycophenolic acid phenolic glucuronide}}
-{{#set: inchi-key=inchikey=pkvvtuwhanfmqc-uhfffaoysa-m}}
+{{#set: inchi-key=inchikey=byfgtsayqqiucn-hgihdbqlsa-l}}
-{{#set: molecular-weight=145.135}}
+{{#set: molecular-weight=494.451}}