Difference between revisions of "CPD-61"

Revision as of 13:11, 14 January 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 CPD1F-114 ==
+== Metabolite CPD-13700 ==
 * common-name:
-** all-trans-lycopene
+** 3-oxo-4-pregnene-20-carboxyl-coa
 * smiles:
-** cc(=cccc(=cc=cc(c)=cc=cc(c)=cc=cc=c(c)c=cc=c(c)c=cc=c(ccc=c(c)c)c)c)c
+** 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:
-** oaijszizwzsqbc-gyzmgtaesa-n
+** cjjbducnumwujx-zktjokcmsa-j
 * molecular-weight:
-** 536.882
+** 1089.98
 == Reaction(s) known to consume the compound ==
-* [[RXN1F-150]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-8042]]
+* [[RXN-12710]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=all-trans-lycopene}}
+{{#set: common-name=3-oxo-4-pregnene-20-carboxyl-coa}}
-{{#set: inchi-key=inchikey=oaijszizwzsqbc-gyzmgtaesa-n}}
+{{#set: inchi-key=inchikey=cjjbducnumwujx-zktjokcmsa-j}}
-{{#set: molecular-weight=536.882}}
+{{#set: molecular-weight=1089.98}}