Difference between revisions of "CPD-14276"

Latest revision as of 11:11, 18 March 2021

common-name:
- (3r)-3-hydroxy-behenoyl-coa
smiles:
- cccccccccccccccccccc(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:
- vnjqsrvxtrjvaz-zuiqssppsa-j
molecular-weight:
- 1102.075

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite ADENYLOSUCC ==
+== Metabolite CPD-14276 ==
 * common-name:
-** adenylo-succinate
+** (3r)-3-hydroxy-behenoyl-coa
 * smiles:
-** c(op(=o)([o-])[o-])c1(oc(c(o)c(o)1)n3(c=nc2(c(=nc=nc=23)nc(cc(=o)[o-])c(=o)[o-])))
+** cccccccccccccccccccc(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:
-** ofbhppmpbojxrt-dpxqiynjsa-j
+** vnjqsrvxtrjvaz-zuiqssppsa-j
 * molecular-weight:
-** 459.265
+** 1102.075
 == Reaction(s) known to consume the compound ==
-* [[AAL_LPAREN_fum_RPAREN_]]
+* [[RXN-13303]]
-* [[AMPSYN-RXN]]
 == Reaction(s) known to produce the compound ==
-* [[ADENYLOSUCCINATE-SYNTHASE-RXN]]
+* [[RXN-13299]]
-* [[AMPSYN-RXN]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=adenylo-succinate}}
+{{#set: common-name=(3r)-3-hydroxy-behenoyl-coa}}
-{{#set: inchi-key=inchikey=ofbhppmpbojxrt-dpxqiynjsa-j}}
+{{#set: inchi-key=inchikey=vnjqsrvxtrjvaz-zuiqssppsa-j}}
-{{#set: molecular-weight=459.265}}
+{{#set: molecular-weight=1102.075}}