Difference between revisions of "THREO-DS-ISO-CITRATE"

Latest revision as of 11:12, 18 March 2021

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-11528 ==
+== Metabolite THREO-DS-ISO-CITRATE ==
 * common-name:
-** 3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-(3-oxobutanoyl)-coa
+** d-threo-isocitrate
 * smiles:
-** ccc=ccc1(c(ccc(=o)1)cc(=o)cc(=o)sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op(=o)(occ2(c(op([o-])(=o)[o-])c(o)c(o2)n4(c3(=c(c(n)=nc=n3)n=c4))))[o-])[o-])
+** c(=o)(c(cc([o-])=o)c(o)c([o-])=o)[o-]
 * inchi-key:
-** qgjlcxxjefrwhp-jqukjzmasa-j
+** odblhexudapzau-zafykaaxsa-k
 * molecular-weight:
-** 997.797
+** 189.101
 == Reaction(s) known to consume the compound ==
-* [[RXN-10701]]
+* [[ACONITATEHYDR-RXN]]
+* [[ISOCIT-CLEAV-RXN]]
+* [[ISOCITDEH-RXN]]
+* [[RXN-14047]]
+* [[RXN-9951]]
+* [[biomass_rxn]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-10703]]
+* [[ACONITATEHYDR-RXN]]
+* [[ISOCIT-CLEAV-RXN]]
+* [[ISOCITDEH-RXN]]
+* [[RXN-14047]]
+* [[RXN-9951]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-(3-oxobutanoyl)-coa}}
+{{#set: common-name=d-threo-isocitrate}}
-{{#set: inchi-key=inchikey=qgjlcxxjefrwhp-jqukjzmasa-j}}
+{{#set: inchi-key=inchikey=odblhexudapzau-zafykaaxsa-k}}
-{{#set: molecular-weight=997.797}}
+{{#set: molecular-weight=189.101}}