Difference between revisions of "CPD1G-0"

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(Created page with "Category:metabolite == Metabolite CPD-16017 == * common-name: ** ergosteryl oleate * smiles: ** ccccccccc=ccccccccc(oc4(ccc1(c)(c(=cc=c2([ch]1ccc3(c)([ch](c(c=cc(c)c(c)c)c...")
(Created page with "Category:metabolite == Metabolite CPD-3945 == * common-name: ** (22α)-hydroxy-campest-4-en-3-one * smiles: ** cc(c)c(c)cc(o)c(c)[ch]3(cc[ch]4([ch]2(ccc1(=cc(=o)ccc(c...")
Line 1: Line 1:
 
[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD-16017 ==
+
== Metabolite CPD-3945 ==
 
* common-name:
 
* common-name:
** ergosteryl oleate
+
** (22α)-hydroxy-campest-4-en-3-one
 
* smiles:
 
* smiles:
** ccccccccc=ccccccccc(oc4(ccc1(c)(c(=cc=c2([ch]1ccc3(c)([ch](c(c=cc(c)c(c)c)c)cc[ch]23)))c4)))=o
+
** cc(c)c(c)cc(o)c(c)[ch]3(cc[ch]4([ch]2(ccc1(=cc(=o)ccc(c)1[ch]2ccc(c)34))))
 
* inchi-key:
 
* inchi-key:
** vvznllxlokrqph-nzirwoiasa-n
+
** fmfaicdkespfnh-nqmbqapesa-n
 
* molecular-weight:
 
* molecular-weight:
** 661.105
+
** 414.67
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-15135]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-4231]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=ergosteryl oleate}}
+
{{#set: common-name=(22α)-hydroxy-campest-4-en-3-one}}
{{#set: inchi-key=inchikey=vvznllxlokrqph-nzirwoiasa-n}}
+
{{#set: inchi-key=inchikey=fmfaicdkespfnh-nqmbqapesa-n}}
{{#set: molecular-weight=661.105}}
+
{{#set: molecular-weight=414.67}}

Revision as of 11:12, 15 January 2021

Metabolite CPD-3945

  • common-name:
    • (22α)-hydroxy-campest-4-en-3-one
  • smiles:
    • cc(c)c(c)cc(o)c(c)[ch]3(cc[ch]4([ch]2(ccc1(=cc(=o)ccc(c)1[ch]2ccc(c)34))))
  • inchi-key:
    • fmfaicdkespfnh-nqmbqapesa-n
  • molecular-weight:
    • 414.67

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality