Difference between revisions of "CPD-16017"

Latest revision as of 11:11, 18 March 2021

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)cc[ch]23)))c4)))=o
inchi-key:
- vvznllxlokrqph-nzirwoiasa-n
molecular-weight:
- 661.105

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-17331 ==
+== Metabolite CPD-16017 ==
 * common-name:
-** (9z,12z,15z,18z,21z)-tetracosapentaenoyl-coa
+** ergosteryl oleate
 * smiles:
-** ccc=ccc=ccc=ccc=ccc=ccccccccc(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-])=o
+** 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
 * inchi-key:
-** bnamtmvbovnnsh-afqbpcmksa-j
+** vvznllxlokrqph-nzirwoiasa-n
 * molecular-weight:
-** 1104.05
+** 661.105
 == Reaction(s) known to consume the compound ==
-* [[RXN-16132]]
+* [[RXN-15135]]
 == Reaction(s) known to produce the compound ==
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=(9z,12z,15z,18z,21z)-tetracosapentaenoyl-coa}}
+{{#set: common-name=ergosteryl oleate}}
-{{#set: inchi-key=inchikey=bnamtmvbovnnsh-afqbpcmksa-j}}
+{{#set: inchi-key=inchikey=vvznllxlokrqph-nzirwoiasa-n}}
-{{#set: molecular-weight=1104.05}}
+{{#set: molecular-weight=661.105}}