Difference between revisions of "CPD0-2123"

Revision as of 17:54, 13 January 2021

common-name:
- 3-oxo-(9z)-hexadecenoyl-coa
molecular-weight:
- 1013.883
inchi-key:
- jdnargywmlyada-mdmkaecgsa-j
smiles:
- ccccccc=ccccccc(=o)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-]

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-10283 ==
+== Metabolite CPD-19158 ==
-* common_name:
+* common-name:
-** 3-oxo-behenoyl-coa
+** 3-oxo-(9z)-hexadecenoyl-coa
+* molecular-weight:
+** 1013.883
+* inchi-key:
+** jdnargywmlyada-mdmkaecgsa-j
 * smiles:
-** cccccccccccccccccccc(=o)cc(=o)sccnc(=o)ccnc(c(o)c(c)(c)cop([o-])(=o)op([o-])(=o)occ1(c(op(=o)([o-])[o-])c(o)c(o1)n3(c=nc2(c(n)=nc=nc=23))))=o
+** ccccccc=ccccccc(=o)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-]
-* inchi_key:
-** inchikey=rkcogguhkptoqj-gnsuaqhmsa-j
-* molecular_weight:
-** 1100.059
 == Reaction(s) known to consume the compound ==
-* [[RXN-13299]]
+* [[RXN-17791]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-13295]]
+* [[RXN-17790]]
 == Reaction(s) of unknown directionality ==
-{{#set: common_name=3-oxo-behenoyl-coa}}
+{{#set: common-name=3-oxo-(9z)-hexadecenoyl-coa}}
-{{#set: inchi_key=inchikey=rkcogguhkptoqj-gnsuaqhmsa-j}}
+{{#set: molecular-weight=1013.883}}
-{{#set: molecular_weight=1100.059    }}
+{{#set: inchi-key=inchikey=jdnargywmlyada-mdmkaecgsa-j}}