Difference between revisions of "CPD-13700"

Latest revision as of 11:15, 18 March 2021

common-name:
- 3-oxo-4-pregnene-20-carboxyl-coa
smiles:
- cc(c(=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-])[ch]6(cc[ch]7([ch]5(ccc4(=cc(=o)ccc(c)4[ch]5ccc(c)67))))
inchi-key:
- cjjbducnumwujx-zktjokcmsa-j
molecular-weight:
- 1089.98

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-590 ==
+== Metabolite CPD-13700 ==
 * common-name:
-** (2r,3s,4s)-leucocyanidin
+** 3-oxo-4-pregnene-20-carboxyl-coa
 * smiles:
-** c3(c(c2(oc1(c=c(c=c(c=1c(c2o)o)o)o)))=cc(o)=c(c=3)o)
+** cc(c(=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-])[ch]6(cc[ch]7([ch]5(ccc4(=cc(=o)ccc(c)4[ch]5ccc(c)67))))
 * inchi-key:
-** sbzwtshafilote-souvjxgzsa-n
+** cjjbducnumwujx-zktjokcmsa-j
 * molecular-weight:
-** 306.271
+** 1089.98
 == Reaction(s) known to consume the compound ==
-* [[RXN-602]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-600]]
+* [[RXN-12710]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=(2r,3s,4s)-leucocyanidin}}
+{{#set: common-name=3-oxo-4-pregnene-20-carboxyl-coa}}
-{{#set: inchi-key=inchikey=sbzwtshafilote-souvjxgzsa-n}}
+{{#set: inchi-key=inchikey=cjjbducnumwujx-zktjokcmsa-j}}
-{{#set: molecular-weight=306.271}}
+{{#set: molecular-weight=1089.98}}