Difference between revisions of "CPD-15699"

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(Created page with "Category:metabolite == Metabolite CPD-19144 == * common-name: ** (7z)-hexadecenoyl-coa * smiles: ** ccccccccc=ccccccc(=o)sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op(=o)(occ1(c(...")
(Created page with "Category:metabolite == Metabolite CPD0-2171 == * common-name: ** (s)-3-hydroxytetradecanoyl-coa * smiles: ** cccccccccccc(o)cc(=o)sccnc(=o)ccnc(c(o)c(c)(c)cop([o-])(=o)op(...")
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD-19144 ==
+
== Metabolite CPD0-2171 ==
 
* common-name:
 
* common-name:
** (7z)-hexadecenoyl-coa
+
** (s)-3-hydroxytetradecanoyl-coa
 
* smiles:
 
* smiles:
** ccccccccc=ccccccc(=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-]
+
** cccccccccccc(o)cc(=o)sccnc(=o)ccnc(c(o)c(c)(c)cop([o-])(=o)op([o-])(=o)occ1(c(op(=o)([o-])[o-])c(o)c(o1)n3(c=nc2(c(n)=nc=nc=23))))=o
 
* inchi-key:
 
* inchi-key:
** mjwmoldkmbisob-ydggzukgsa-j
+
** oxbhkmhndgrdcz-stlsenowsa-j
 
* molecular-weight:
 
* molecular-weight:
** 999.899
+
** 989.861
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-17779]]
+
* [[ECOAH6h]]
 +
* [[HACD6h]]
 +
* [[RXN-12507]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-17778]]
+
* [[ECOAH6h]]
 +
* [[HACD6h]]
 +
* [[RXN-14273]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=(7z)-hexadecenoyl-coa}}
+
{{#set: common-name=(s)-3-hydroxytetradecanoyl-coa}}
{{#set: inchi-key=inchikey=mjwmoldkmbisob-ydggzukgsa-j}}
+
{{#set: inchi-key=inchikey=oxbhkmhndgrdcz-stlsenowsa-j}}
{{#set: molecular-weight=999.899}}
+
{{#set: molecular-weight=989.861}}

Revision as of 11:13, 15 January 2021

Metabolite CPD0-2171

  • common-name:
    • (s)-3-hydroxytetradecanoyl-coa
  • smiles:
    • cccccccccccc(o)cc(=o)sccnc(=o)ccnc(c(o)c(c)(c)cop([o-])(=o)op([o-])(=o)occ1(c(op(=o)([o-])[o-])c(o)c(o1)n3(c=nc2(c(n)=nc=nc=23))))=o
  • inchi-key:
    • oxbhkmhndgrdcz-stlsenowsa-j
  • molecular-weight:
    • 989.861

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality