Difference between revisions of "CPD-9459"

Latest revision as of 19:37, 17 March 2021

common-name:
- oleanolate
molecular-weight:
- 455.699
inchi-key:
- mijyxulnpsfwek-gtofxwbisa-m
smiles:
- cc3(c[ch]4(c2(=cc[ch]5(c1(ccc(c([ch]1ccc(c2(ccc(cc3)4c([o-])=o)c)5c)(c)c)o)c))))c

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-17367 ==
+== Metabolite CPD-9459 ==
 * common-name:
-** (3r,7z,10z,13z,16z)-3-hydroxydocosatetraenoyl-coa
+** oleanolate
 * molecular-weight:
-** 1094.012
+** 455.699
 * inchi-key:
-** jhxlrlhtjymvbk-dhdhvehbsa-j
+** mijyxulnpsfwek-gtofxwbisa-m
 * smiles:
-** cccccc=ccc=ccc=ccc=ccccc(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-]
+** cc3(c[ch]4(c2(=cc[ch]5(c1(ccc(c([ch]1ccc(c2(ccc(cc3)4c([o-])=o)c)5c)(c)c)o)c))))c
 == Reaction(s) known to consume the compound ==
+* [[RXN-9000]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-16112]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=(3r,7z,10z,13z,16z)-3-hydroxydocosatetraenoyl-coa}}
+{{#set: common-name=oleanolate}}
-{{#set: molecular-weight=1094.012}}
+{{#set: molecular-weight=455.699}}
-{{#set: inchi-key=inchikey=jhxlrlhtjymvbk-dhdhvehbsa-j}}
+{{#set: inchi-key=inchikey=mijyxulnpsfwek-gtofxwbisa-m}}