Difference between revisions of "CPD-19148"

Latest revision as of 11:15, 18 March 2021

common-name:
- (5z)-dodecenoyl-coa
smiles:
- ccccccc=ccccc(=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:
- rcvjzgbrlgutkt-cggpsvllsa-j
molecular-weight:
- 943.792

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite THIAMINE ==
+== Metabolite CPD-19148 ==
 * common-name:
-** thiamine
+** (5z)-dodecenoyl-coa
 * smiles:
-** cc1([n+](=csc(cco)=1)cc2(c=nc(c)=nc(n)=2))
+** ccccccc=ccccc(=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:
-** jzrwcgzrtzmzeh-uhfffaoysa-n
+** rcvjzgbrlgutkt-cggpsvllsa-j
 * molecular-weight:
-** 265.352
+** 943.792
 == Reaction(s) known to consume the compound ==
-* [[ExchangeSeed-THIAMINE]]
+* [[RXN-17796]]
-* [[THIAMIN-PYROPHOSPHOKINASE-RXN]]
-* [[THIAMINASE-RXN]]
-* [[TransportSeed-THIAMINE]]
 == Reaction(s) known to produce the compound ==
-* [[ExchangeSeed-THIAMINE]]
+* [[RXN-17795]]
-* [[TransportSeed-THIAMINE]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=thiamine}}
+{{#set: common-name=(5z)-dodecenoyl-coa}}
-{{#set: inchi-key=inchikey=jzrwcgzrtzmzeh-uhfffaoysa-n}}
+{{#set: inchi-key=inchikey=rcvjzgbrlgutkt-cggpsvllsa-j}}
-{{#set: molecular-weight=265.352}}
+{{#set: molecular-weight=943.792}}