Difference between revisions of "CPD-7221"

Latest revision as of 11:16, 18 March 2021

common-name:
- (3z)-dodec-3-enoyl-coa
smiles:
- ccccccccc=ccc(sccnc(ccnc(c(c(cop(op(occ3(c(op(=o)([o-])[o-])c(o)c(n2(c1(n=cn=c(n)c=1n=c2)))o3))(=o)[o-])(=o)[o-])(c)c)o)=o)=o)=o
inchi-key:
- xemivmktvgrftd-qxmhvhedsa-j
molecular-weight:
- 943.792

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-369 ==
+== Metabolite CPD-7221 ==
 * common-name:
-** l-iditol
+** (3z)-dodec-3-enoyl-coa
 * smiles:
-** c(c(c(c(c(o)co)o)o)o)o
+** ccccccccc=ccc(sccnc(ccnc(c(c(cop(op(occ3(c(op(=o)([o-])[o-])c(o)c(n2(c1(n=cn=c(n)c=1n=c2)))o3))(=o)[o-])(=o)[o-])(c)c)o)=o)=o)=o
 * inchi-key:
-** fbpfztcfmrresa-untfvmjosa-n
+** xemivmktvgrftd-qxmhvhedsa-j
 * molecular-weight:
-** 182.173
+** 943.792
 == Reaction(s) known to consume the compound ==
-* [[L-IDITOL-2-DEHYDROGENASE-RXN]]
+* [[RXN-7931]]
 == Reaction(s) known to produce the compound ==
-* [[L-IDITOL-2-DEHYDROGENASE-RXN]]
+* [[RXN-14394]]
+* [[RXN-7931]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=l-iditol}}
+{{#set: common-name=(3z)-dodec-3-enoyl-coa}}
-{{#set: inchi-key=inchikey=fbpfztcfmrresa-untfvmjosa-n}}
+{{#set: inchi-key=inchikey=xemivmktvgrftd-qxmhvhedsa-j}}
-{{#set: molecular-weight=182.173}}
+{{#set: molecular-weight=943.792}}