Difference between revisions of "TRANS-3-METHYL-GLUTACONYL-COA"

Latest revision as of 11:17, 18 March 2021

common-name:
- 3-methylglutaconyl-coa
smiles:
- cc(=cc(=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-])cc(=o)[o-]
inchi-key:
- gxkshrdahflwpn-rkylshmcsa-i
molecular-weight:
- 888.606

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-7061 ==
+== Metabolite TRANS-3-METHYL-GLUTACONYL-COA ==
 * common-name:
-** pheophorbide a
+** 3-methylglutaconyl-coa
 * smiles:
-** c=cc5(=c(c)c6(=cc1(c(c)c(ccc(=o)[o-])c(n=1)=c3([c-](c(oc)=o)c(=o)c2(c(c)=c(nc=23)c=c4(c(cc)=c(c)c(=n4)c=c5n6))))))
+** cc(=cc(=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-])cc(=o)[o-]
 * inchi-key:
-** uxwyeazhzlzdgm-zvevzsnksa-m
+** gxkshrdahflwpn-rkylshmcsa-i
 * molecular-weight:
-** 590.677
+** 888.606
 == Reaction(s) known to consume the compound ==
-* [[RXN-17252]]
-* [[RXN-7740]]
 == Reaction(s) known to produce the compound ==
+* [[METHYLCROTONYL-COA-CARBOXYLASE-RXN]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=pheophorbide a}}
+{{#set: common-name=3-methylglutaconyl-coa}}
-{{#set: inchi-key=inchikey=uxwyeazhzlzdgm-zvevzsnksa-m}}
+{{#set: inchi-key=inchikey=gxkshrdahflwpn-rkylshmcsa-i}}
-{{#set: molecular-weight=590.677}}
+{{#set: molecular-weight=888.606}}