Difference between revisions of "5Z8Z11Z14Z17Z-EICOSAPENTAENOATE"

Revision as of 18:52, 14 January 2021

common-name:
- (3r)-hydroxy-auricoloyl-coa
smiles:
- ccc=cccc(o)cc=ccccccccc(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:
- xtsclycoojhttr-ktfrusdtsa-j
molecular-weight:
- 1085.989

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite 2-METHYL-3-PHYTYL-14-NAPHTHOQUINONE ==
+== Metabolite CPD-17402 ==
 * common-name:
-** phylloquinone
+** (3r)-hydroxy-auricoloyl-coa
 * smiles:
-** cc(c)cccc(c)cccc(c)cccc(c)=ccc2(=c(c(=o)c1(c=cc=cc=1c2=o))c)
+** ccc=cccc(o)cc=ccccccccc(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:
-** mbwxntaxlnyfjb-lkudqcmesa-n
+** xtsclycoojhttr-ktfrusdtsa-j
 * molecular-weight:
-** 450.703
+** 1085.989
 == Reaction(s) known to consume the compound ==
-* [[1.1.4.1-RXN]]
+* [[RXN-16155]]
 == Reaction(s) known to produce the compound ==
-* [[1.1.4.1-RXN]]
+* [[RXN-16154]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=phylloquinone}}
+{{#set: common-name=(3r)-hydroxy-auricoloyl-coa}}
-{{#set: inchi-key=inchikey=mbwxntaxlnyfjb-lkudqcmesa-n}}
+{{#set: inchi-key=inchikey=xtsclycoojhttr-ktfrusdtsa-j}}
-{{#set: molecular-weight=450.703}}
+{{#set: molecular-weight=1085.989}}