Difference between revisions of "Aliphatic-Omega-Amino-Aldehydes"

Revision as of 15:13, 15 March 2021

common_name:
- 3-oxo-(11z,14z)-icosa-11,14-dienoyl-coa
smiles:
- cccccc=ccc=ccccccccc(=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-]
inchi_key:
- inchikey=puwduocpcwfefg-ygyqdceasa-j
molecular_weight:
- 1067.974

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-35 ==
+== Metabolite CPD-17346 ==
-* common-name:
+* common_name:
-** 4-acetamidobutanoate
+** 3-oxo-(11z,14z)-icosa-11,14-dienoyl-coa
-* molecular-weight:
-** 144.15
-* inchi-key:
-** uztfmubkzqvklk-uhfffaoysa-m
 * smiles:
-** cc(=o)ncccc(=o)[o-]
+** cccccc=ccc=ccccccccc(=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-]
+* inchi_key:
+** inchikey=puwduocpcwfefg-ygyqdceasa-j
+* molecular_weight:
+** 1067.974
 == Reaction(s) known to consume the compound ==
+* [[RXN-16095]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-37]]
+* [[RXN-16094]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=4-acetamidobutanoate}}
+{{#set: common_name=3-oxo-(11z,14z)-icosa-11,14-dienoyl-coa}}
-{{#set: molecular-weight=144.15}}
+{{#set: inchi_key=inchikey=puwduocpcwfefg-ygyqdceasa-j}}
-{{#set: inchi-key=inchikey=uztfmubkzqvklk-uhfffaoysa-m}}
+{{#set: molecular_weight=1067.974    }}