Difference between revisions of "3-HYDROXY-PROPIONATE"

Revision as of 17:03, 14 October 2022

common-name:
- ω-carboxy-(9z)-octadec-9-enoyl-coa
inchi-key:
- iiswkvfhqlaomw-btfuzuoasa-i
molecular-weight:
- 1056.928
smiles:
- cc(c)([c@@h](o)c(=o)nccc(=o)nccsc(=o)cccccccc=ccccccccc(=o)[o-])cop(=o)(op(=o)(oc[c@h]1([c@@h](op([o-])(=o)[o-])[c@@h](o)[c@@h](o1)n2(c3(n=cn=c(c(n=c2)=3)n))))[o-])[o-]

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite 3-HYDROXY-PROPIONATE ==
+== Metabolite CPD-17624 ==
 * common-name:
-** 3-hydroxypropanoate
+** &omega;-carboxy-(9z)-octadec-9-enoyl-coa
 * inchi-key:
-** alrhlsyjtwahjz-uhfffaoysa-m
+** iiswkvfhqlaomw-btfuzuoasa-i
 * molecular-weight:
-** 89.071
+** 1056.928
 * smiles:
-** c(co)c([o-])=o
+** cc(c)([c@@h](o)c(=o)nccc(=o)nccsc(=o)cccccccc=ccccccccc(=o)[o-])cop(=o)(op(=o)(oc[c@h]1([c@@h](op([o-])(=o)[o-])[c@@h](o)[c@@h](o1)n2(c3(n=cn=c(c(n=c2)=3)n))))[o-])[o-]
 == Reaction(s) known to consume the compound ==
 == Reaction(s) known to produce the compound ==
-* [[RXN-8974]]
+* [[RXN-16418]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=3-hydroxypropanoate}}
+{{#set: common-name=&omega;-carboxy-(9z)-octadec-9-enoyl-coa}}
-{{#set: inchi-key=inchikey=alrhlsyjtwahjz-uhfffaoysa-m}}
+{{#set: inchi-key=inchikey=iiswkvfhqlaomw-btfuzuoasa-i}}
-{{#set: molecular-weight=89.071}}
+{{#set: molecular-weight=1056.928}}