Difference between revisions of "VLC-alcohol-LC-acyl-ester"

Revision as of 13:08, 14 January 2021

common-name:
- angiotensin i
smiles:
- ccc(c)c(c(nc(cc1(=cn=cn1))c(n4(cccc(c(nc(c(nc(cc2(=cnc=n2))c(nc(cc(c)c)c([o-])=o)=o)=o)cc3(c=cc=cc=3))=o)4))=o)=o)nc(c(cc5(c=cc(=cc=5)o))nc(c(c(c)c)nc(c(cccnc(=[n+])n)nc(c(cc(=o)[o-])[n+])=o)=o)=o)=o
inchi-key:
- orwyrwwvdcyomk-hbzpzaiksa-n
molecular-weight:
- 1296.491

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite PHYTOL ==
+== Metabolite CPD-13004 ==
 * common-name:
-** phytol
+** angiotensin i
 * smiles:
-** cc(c)cccc(c)cccc(c)cccc(c)=cco
+** ccc(c)c(c(nc(cc1(=cn=cn1))c(n4(cccc(c(nc(c(nc(cc2(=cnc=n2))c(nc(cc(c)c)c([o-])=o)=o)=o)cc3(c=cc=cc=3))=o)4))=o)=o)nc(c(cc5(c=cc(=cc=5)o))nc(c(c(c)c)nc(c(cccnc(=[n+])n)nc(c(cc(=o)[o-])[n+])=o)=o)=o)=o
 * inchi-key:
-** botwfxyspfmfnr-pyddkjgssa-n
+** orwyrwwvdcyomk-hbzpzaiksa-n
 * molecular-weight:
-** 296.535
+** 1296.491
 == Reaction(s) known to consume the compound ==
-* [[RXN-7683]]
-* [[RXN66-478]]
 == Reaction(s) known to produce the compound ==
+* [[3.4.23.15-RXN]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=phytol}}
+{{#set: common-name=angiotensin i}}
-{{#set: inchi-key=inchikey=botwfxyspfmfnr-pyddkjgssa-n}}
+{{#set: inchi-key=inchikey=orwyrwwvdcyomk-hbzpzaiksa-n}}
-{{#set: molecular-weight=296.535}}
+{{#set: molecular-weight=1296.491}}