Difference between revisions of "CPD-8594"

Revision as of 13:12, 14 January 2021

common-name:
- (2e,9z,12z,15z,18z)-tetracosa-2,9,12,15,18-pentaenoyl-coa
smiles:
- cccccc=ccc=ccc=ccc=ccccccc=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:
- avrcofdawhwkmb-mnthwfihsa-j
molecular-weight:
- 1104.05

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-371 ==
+== Metabolite CPD-18490 ==
 * common-name:
-** 1-octanal
+** (2e,9z,12z,15z,18z)-tetracosa-2,9,12,15,18-pentaenoyl-coa
 * smiles:
-** ccccccc[ch]=o
+** cccccc=ccc=ccc=ccc=ccccccc=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:
-** nujgjrnetvairj-uhfffaoysa-n
+** avrcofdawhwkmb-mnthwfihsa-j
 * molecular-weight:
-** 128.214
+** 1104.05
 == Reaction(s) known to consume the compound ==
-* [[R222-RXN]]
 == Reaction(s) known to produce the compound ==
+* [[RXN-17110]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=1-octanal}}
+{{#set: common-name=(2e,9z,12z,15z,18z)-tetracosa-2,9,12,15,18-pentaenoyl-coa}}
-{{#set: inchi-key=inchikey=nujgjrnetvairj-uhfffaoysa-n}}
+{{#set: inchi-key=inchikey=avrcofdawhwkmb-mnthwfihsa-j}}
-{{#set: molecular-weight=128.214}}
+{{#set: molecular-weight=1104.05}}