Difference between revisions of "CPD1G-0"

Revision as of 18:52, 14 January 2021

common-name:
- ergosteryl oleate
smiles:
- ccccccccc=ccccccccc(oc4(ccc1(c)(c(=cc=c2([ch]1ccc3(c)([ch](c(c=cc(c)c(c)c)c)cc[ch]23)))c4)))=o
inchi-key:
- vvznllxlokrqph-nzirwoiasa-n
molecular-weight:
- 661.105

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD0-2472 ==
+== Metabolite CPD-16017 ==
 * common-name:
-** (r)-nadhx
+** ergosteryl oleate
 * smiles:
-** c1(=c(ccc(o)n1c5(oc(cop(=o)([o-])op(=o)([o-])occ2(oc(c(o)c(o)2)n4(c=nc3(c(n)=nc=nc=34))))c(o)c(o)5))c(n)=o)
+** ccccccccc=ccccccccc(oc4(ccc1(c)(c(=cc=c2([ch]1ccc3(c)([ch](c(c=cc(c)c(c)c)c)cc[ch]23)))c4)))=o
 * inchi-key:
-** idbzkgqrlbfufq-mtkbybfrsa-l
+** vvznllxlokrqph-nzirwoiasa-n
 * molecular-weight:
-** 681.445
+** 661.105
 == Reaction(s) known to consume the compound ==
-* [[RXN-12752]]
+* [[RXN-15135]]
 == Reaction(s) known to produce the compound ==
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=(r)-nadhx}}
+{{#set: common-name=ergosteryl oleate}}
-{{#set: inchi-key=inchikey=idbzkgqrlbfufq-mtkbybfrsa-l}}
+{{#set: inchi-key=inchikey=vvznllxlokrqph-nzirwoiasa-n}}
-{{#set: molecular-weight=681.445}}
+{{#set: molecular-weight=661.105}}