Difference between revisions of "TCA"

Revision as of 09:22, 27 August 2019

common-name:
- 6-trans-tridecenoyl-coa
smiles:
- ccccccc=cccccc(=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:
- uuivzebypbpkll-hmxwsvnbsa-j
molecular-weight:
- 957.819

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CONIFERYL-ALDEHYDE CONIFERYL-ALDEHYDE] ==
+== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-15651 CPD-15651] ==
 * common-name:
-** coniferaldehyde
+** 6-trans-tridecenoyl-coa
 * smiles:
-** coc1(=cc(c=cc=o)=cc=c(o)1)
+** ccccccc=cccccc(=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:
-** dkzbbwmurdfhne-nscuhmnnsa-n
+** uuivzebypbpkll-hmxwsvnbsa-j
 * molecular-weight:
-** 178.187
+** 957.819
 == Reaction(s) known to consume the compound ==
+* [[RXN-14785]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-1106]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=coniferaldehyde}}
+{{#set: common-name=6-trans-tridecenoyl-coa}}
-{{#set: inchi-key=inchikey=dkzbbwmurdfhne-nscuhmnnsa-n}}
+{{#set: inchi-key=inchikey=uuivzebypbpkll-hmxwsvnbsa-j}}
-{{#set: molecular-weight=178.187}}
+{{#set: molecular-weight=957.819}}