Difference between revisions of "HOMO-CIS-ACONITATE"

Latest revision as of 19:36, 17 March 2021

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-12646 ==
+== Metabolite HOMO-CIS-ACONITATE ==
-* common-name:
+* common_name:
-** (11z,14z)-icosadienoyl-coa
+** cis-homoaconitate
-* molecular-weight:
-** 1053.99
-* inchi-key:
-** yckyouvxzzjciu-ygyqdceasa-j
 * smiles:
-** cccccc=ccc=ccccccccccc(=o)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-]
+** c(=o)([o-])c=c(ccc([o-])=o)c(=o)[o-]
+* inchi_key:
+** inchikey=bjypzfuwwjsakc-arjawskdsa-k
+* molecular_weight:
+** 185.113
 == Reaction(s) known to consume the compound ==
-* [[R08190]]
+* [[HOMOACONITATE-HYDRATASE-RXN]]
-* [[RXN-17105]]
 == Reaction(s) known to produce the compound ==
-* [[R08190]]
+* [[RXN3O-1983]]
-* [[RXN-16097]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=(11z,14z)-icosadienoyl-coa}}
+{{#set: common_name=cis-homoaconitate}}
-{{#set: molecular-weight=1053.99}}
+{{#set: inchi_key=inchikey=bjypzfuwwjsakc-arjawskdsa-k}}
-{{#set: inchi-key=inchikey=yckyouvxzzjciu-ygyqdceasa-j}}
+{{#set: molecular_weight=185.113    }}