Difference between revisions of "CPD-14736"

Revision as of 14:57, 5 January 2021

common-name:
- (5z)-dodecenoyl-coa
smiles:
- ccccccc=ccccc(=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:
- rcvjzgbrlgutkt-cggpsvllsa-j
molecular-weight:
- 943.792

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-13227 ==
+== Metabolite CPD-19148 ==
 * common-name:
-** n,n',n''-triacetylchitotriose
+** (5z)-dodecenoyl-coa
 * smiles:
-** cc(=o)nc1(c(o)oc(co)c(c(o)1)oc2(c(nc(c)=o)c(o)c(c(co)o2)oc3(oc(c(o)c(o)c(nc(c)=o)3)co)))
+** ccccccc=ccccc(=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:
-** wzzvuhwlnmnwlw-mewklcdlsa-n
+** rcvjzgbrlgutkt-cggpsvllsa-j
 * molecular-weight:
-** 627.598
+** 943.792
 == Reaction(s) known to consume the compound ==
+* [[RXN-17796]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-12623]]
+* [[RXN-17795]]
-* [[RXN-12624]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=n,n',n''-triacetylchitotriose}}
+{{#set: common-name=(5z)-dodecenoyl-coa}}
-{{#set: inchi-key=inchikey=wzzvuhwlnmnwlw-mewklcdlsa-n}}
+{{#set: inchi-key=inchikey=rcvjzgbrlgutkt-cggpsvllsa-j}}
-{{#set: molecular-weight=627.598}}
+{{#set: molecular-weight=943.792}}