Difference between revisions of "CPD-17757"

Revision as of 08:30, 15 March 2021

common-name:
- 9-cis-β-carotene
smiles:
- cc(c=cc=c(c)c=cc1(=c(c)cccc(c)(c)1))=cc=cc=c(c=cc=c(c=cc2(=c(cccc2(c)c)c))c)c
inchi-key:
- oenhqhleoonyie-bvzamqqesa-n
molecular-weight:
- 536.882

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-13755 ==
+== Metabolite CPD-14646 ==
 * common-name:
-** 5-hydroxy-3-[(3as,4s,5r,7as)-7a-methyl-1,5-dioxo-octahydro-1h-inden-4-yl]propanoyl-coa
+** 9-cis-&beta;-carotene
 * smiles:
-** cc(c)(c(o)c(=o)nccc(=o)nccsc(=o)ccc1(c(o)ccc2(c)(c(=o)cc[ch]12)))cop(=o)(op(=o)(occ3(c(op([o-])(=o)[o-])c(o)c(o3)n5(c4(=c(c(n)=nc=n4)n=c5))))[o-])[o-]
+** cc(c=cc=c(c)c=cc1(=c(c)cccc(c)(c)1))=cc=cc=c(c=cc=c(c=cc2(=c(cccc2(c)c)c))c)c
 * inchi-key:
-** akniqsrwpadumx-odlrqibisa-j
+** oenhqhleoonyie-bvzamqqesa-n
 * molecular-weight:
-** 985.786
+** 536.882
 == Reaction(s) known to consume the compound ==
-* [[RXN-12747]]
+* [[RXN-13641]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-12747]]
+* [[RXN-13641]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=5-hydroxy-3-[(3as,4s,5r,7as)-7a-methyl-1,5-dioxo-octahydro-1h-inden-4-yl]propanoyl-coa}}
+{{#set: common-name=9-cis-&beta;-carotene}}
-{{#set: inchi-key=inchikey=akniqsrwpadumx-odlrqibisa-j}}
+{{#set: inchi-key=inchikey=oenhqhleoonyie-bvzamqqesa-n}}
-{{#set: molecular-weight=985.786}}
+{{#set: molecular-weight=536.882}}