Difference between revisions of "CPD-19155"

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(Created page with "Category:metabolite == Metabolite PROPANOL == * common-name: ** propan-1-ol * smiles: ** ccco * inchi-key: ** bdernnfjnopaec-uhfffaoysa-n * molecular-weight: ** 60.096 ==...")
(Created page with "Category:metabolite == Metabolite CPD-19155 == * common-name: ** (s)-3-hydroxy-(9z)-hexadecenoyl-coa * smiles: ** ccccccc=ccccccc(o)cc(=o)sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=...")
 
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite PROPANOL ==
+
== Metabolite CPD-19155 ==
 
* common-name:
 
* common-name:
** propan-1-ol
+
** (s)-3-hydroxy-(9z)-hexadecenoyl-coa
 
* smiles:
 
* smiles:
** ccco
+
** ccccccc=ccccccc(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:
 
* inchi-key:
** bdernnfjnopaec-uhfffaoysa-n
+
** zirsqpaphgzdil-vscxgisksa-j
 
* molecular-weight:
 
* molecular-weight:
** 60.096
+
** 1015.898
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-13198]]
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* [[RXN-17790]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-13198]]
+
* [[RXN-17789]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=propan-1-ol}}
+
{{#set: common-name=(s)-3-hydroxy-(9z)-hexadecenoyl-coa}}
{{#set: inchi-key=inchikey=bdernnfjnopaec-uhfffaoysa-n}}
+
{{#set: inchi-key=inchikey=zirsqpaphgzdil-vscxgisksa-j}}
{{#set: molecular-weight=60.096}}
+
{{#set: molecular-weight=1015.898}}

Latest revision as of 11:15, 18 March 2021

Metabolite CPD-19155

  • common-name:
    • (s)-3-hydroxy-(9z)-hexadecenoyl-coa
  • smiles:
    • ccccccc=ccccccc(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:
    • zirsqpaphgzdil-vscxgisksa-j
  • molecular-weight:
    • 1015.898

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality