Difference between revisions of "SJ12070"

Revision as of 09:24, 27 August 2019

common-name:
- (9z,12z)-hexadeca-9,12-dienoyl-coa
smiles:
- cccc=ccc=ccccccccc(=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:
- cqxsjfxwargobe-pcrjdaltsa-j
molecular-weight:
- 997.883

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17275 CPD-17275] ==
+== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-10254 CPD-10254] ==
 * common-name:
-** 7-oxolithocholate
+** (9z,12z)-hexadeca-9,12-dienoyl-coa
 * smiles:
-** cc([ch]3(cc[ch]4([ch]2(c(=o)c[ch]1(cc(o)ccc(c)1[ch]2ccc(c)34)))))ccc(=o)[o-]
+** cccc=ccc=ccccccccc(=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:
-** dxocdbgwdzayrq-aurdafmxsa-m
+** cqxsjfxwargobe-pcrjdaltsa-j
 * molecular-weight:
-** 389.554
+** 997.883
 == Reaction(s) known to consume the compound ==
 == Reaction(s) known to produce the compound ==
-* [[RXN-16033]]
+* [[RXN-9616]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=7-oxolithocholate}}
+{{#set: common-name=(9z,12z)-hexadeca-9,12-dienoyl-coa}}
-{{#set: inchi-key=inchikey=dxocdbgwdzayrq-aurdafmxsa-m}}
+{{#set: inchi-key=inchikey=cqxsjfxwargobe-pcrjdaltsa-j}}
-{{#set: molecular-weight=389.554}}
+{{#set: molecular-weight=997.883}}