Difference between revisions of "CPD-14278"

Latest revision as of 11:12, 18 March 2021

common-name:
- (3r)-3-hydroxy-cerotoyl-coa
smiles:
- cccccccccccccccccccccccc(o)cc(=o)sccnc(=o)ccnc(c(o)c(c)(c)cop([o-])(=o)op([o-])(=o)occ1(c(op(=o)([o-])[o-])c(o)c(o1)n3(c=nc2(c(n)=nc=nc=23))))=o
inchi-key:
- gbmjotouuwgtia-cslactsssa-j
molecular-weight:
- 1158.182

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite NIACINE ==
+== Metabolite CPD-14278 ==
 * common-name:
-** nicotinate
+** (3r)-3-hydroxy-cerotoyl-coa
 * smiles:
-** c1(=cc=c(c([o-])=o)c=n1)
+** cccccccccccccccccccccccc(o)cc(=o)sccnc(=o)ccnc(c(o)c(c)(c)cop([o-])(=o)op([o-])(=o)occ1(c(op(=o)([o-])[o-])c(o)c(o1)n3(c=nc2(c(n)=nc=nc=23))))=o
 * inchi-key:
-** pvniimvlhyawgp-uhfffaoysa-m
+** gbmjotouuwgtia-cslactsssa-j
 * molecular-weight:
-** 122.103
+** 1158.182
 == Reaction(s) known to consume the compound ==
-* [[NICOTINATEPRIBOSYLTRANS-RXN]]
+* [[RXN-13305]]
 == Reaction(s) known to produce the compound ==
+* [[RXN-13301]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=nicotinate}}
+{{#set: common-name=(3r)-3-hydroxy-cerotoyl-coa}}
-{{#set: inchi-key=inchikey=pvniimvlhyawgp-uhfffaoysa-m}}
+{{#set: inchi-key=inchikey=gbmjotouuwgtia-cslactsssa-j}}
-{{#set: molecular-weight=122.103}}
+{{#set: molecular-weight=1158.182}}