Difference between revisions of "CPD-11522"

Latest revision as of 11:17, 18 March 2021

common-name:
- 3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-(e-hexa-2-enoyl)-coa
smiles:
- ccc=ccc1(c(ccc(=o)1)cccc=cc(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-])=o)
inchi-key:
- ieeneqseowxdqk-dioafzbusa-j
molecular-weight:
- 1009.851

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-4186 ==
+== Metabolite CPD-11522 ==
 * common-name:
-** lathosterol
+** 3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-(e-hexa-2-enoyl)-coa
 * smiles:
-** cc(c)cccc([ch]4(c1(c)([ch](c2([ch](cc1)c3(c)([ch](cc=2)cc(o)cc3)))cc4)))c
+** ccc=ccc1(c(ccc(=o)1)cccc=cc(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-])=o)
 * inchi-key:
-** izvffxvybhfihy-skcnuyalsa-n
+** ieeneqseowxdqk-dioafzbusa-j
 * molecular-weight:
-** 386.66
+** 1009.851
 == Reaction(s) known to consume the compound ==
-* [[1.14.21.6-RXN]]
+* [[RXN-10704]]
 == Reaction(s) known to produce the compound ==
-* [[RXN66-321]]
+* [[RXN-10706]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=lathosterol}}
+{{#set: common-name=3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-(e-hexa-2-enoyl)-coa}}
-{{#set: inchi-key=inchikey=izvffxvybhfihy-skcnuyalsa-n}}
+{{#set: inchi-key=inchikey=ieeneqseowxdqk-dioafzbusa-j}}
-{{#set: molecular-weight=386.66}}
+{{#set: molecular-weight=1009.851}}