Difference between revisions of "CPD-10262"

Latest revision as of 11:14, 18 March 2021

common-name:
- trans-octadec-2-enoyl-coa
smiles:
- cccccccccccccccc=cc(=o)sccnc(=o)ccnc(c(o)c(c)(c)cop([o-])(=o)op([o-])(=o)occ1(c(op(=o)([o-])[o-])c(o)c(o1)n3(c=nc2(c(n)=nc=nc=23))))=o
inchi-key:
- nbccuihohukbmk-zddafbbhsa-j
molecular-weight:
- 1027.953

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-293 ==
+== Metabolite CPD-10262 ==
 * common-name:
-** 5-&alpha;-pregnane-3,20-dione
+** trans-octadec-2-enoyl-coa
 * smiles:
-** cc(=o)[ch]3(cc[ch]4([ch]2(cc[ch]1(cc(=o)ccc(c)1[ch]2ccc(c)34))))
+** cccccccccccccccc=cc(=o)sccnc(=o)ccnc(c(o)c(c)(c)cop([o-])(=o)op([o-])(=o)occ1(c(op(=o)([o-])[o-])c(o)c(o1)n3(c=nc2(c(n)=nc=nc=23))))=o
 * inchi-key:
-** xmrpgkvkisiqbv-bjmcwzgwsa-n
+** nbccuihohukbmk-zddafbbhsa-j
 * molecular-weight:
-** 316.483
+** 1027.953
 == Reaction(s) known to consume the compound ==
+* [[ECOAH8h]]
 == Reaction(s) known to produce the compound ==
-* [[PROGESTERONE-5-ALPHA-REDUCTASE-RXN]]
+* [[ECOAH8]]
+* [[ECOAH8h]]
+* [[RXN-9545]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=5-&alpha;-pregnane-3,20-dione}}
+{{#set: common-name=trans-octadec-2-enoyl-coa}}
-{{#set: inchi-key=inchikey=xmrpgkvkisiqbv-bjmcwzgwsa-n}}
+{{#set: inchi-key=inchikey=nbccuihohukbmk-zddafbbhsa-j}}
-{{#set: molecular-weight=316.483}}
+{{#set: molecular-weight=1027.953}}