Difference between revisions of "CPD0-2232"

Revision as of 14:55, 5 January 2021

common-name:
- (2e,5z)-tetradecenoyl-coa
smiles:
- ccccccccc=ccc=cc(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-])=o
inchi-key:
- jvefyxpcqbmmaa-zmlwrgbosa-j
molecular-weight:
- 969.83

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-15686 ==
+== Metabolite CPD0-1162 ==
 * common-name:
-** (3r)-hydroxy- 5-cis, 7-trans-tetradecadienoyl-coa
+** (2e,5z)-tetradecenoyl-coa
 * smiles:
-** ccccccc=cc=ccc(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-]
+** ccccccccc=ccc=cc(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-])=o
 * inchi-key:
-** zzvzpdqtnsjqpz-voxmgfccsa-j
+** jvefyxpcqbmmaa-zmlwrgbosa-j
 * molecular-weight:
-** 985.829
+** 969.83
 == Reaction(s) known to consume the compound ==
+* [[RXN0-5393]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-14797]]
+* [[RXN-14576]]
+* [[RXN-17783]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=(3r)-hydroxy- 5-cis, 7-trans-tetradecadienoyl-coa}}
+{{#set: common-name=(2e,5z)-tetradecenoyl-coa}}
-{{#set: inchi-key=inchikey=zzvzpdqtnsjqpz-voxmgfccsa-j}}
+{{#set: inchi-key=inchikey=jvefyxpcqbmmaa-zmlwrgbosa-j}}
-{{#set: molecular-weight=985.829}}
+{{#set: molecular-weight=969.83}}