Difference between revisions of "SJ08691"

Revision as of 09:23, 27 August 2019

common-name:
- 3β-hydroxy-4β-methyl-5α-cholest-7-ene-4α-carboxylate
smiles:
- cc(c)cccc(c)[ch]4(cc[ch]3(c(c)(cc[ch]2(c(=cc[ch]1(c(c)(c([o-])=o)c(ccc(c)12)o))3))4))
inchi-key:
- uqfzktihsicspg-dshyqqbwsa-m
molecular-weight:
- 443.688

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-236 CPD-236] ==
+== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-5846 CPD-5846] ==
 * common-name:
-** gibberellin a29
+** 3&beta;-hydroxy-4&beta;-methyl-5&alpha;-cholest-7-ene-4&alpha;-carboxylate
 * smiles:
-** c=c1(c3(o)(cc4(c1)(c([ch]5(c2(c(=o)oc(cc(o)c2)([ch](cc3)4)5)(c)))c([o-])=o)))
+** cc(c)cccc(c)[ch]4(cc[ch]3(c(c)(cc[ch]2(c(=cc[ch]1(c(c)(c([o-])=o)c(ccc(c)12)o))3))4))
 * inchi-key:
-** bkbyhsyzkiajda-lpemzmrwsa-m
+** uqfzktihsicspg-dshyqqbwsa-m
 * molecular-weight:
-** 347.387
+** 443.688
 == Reaction(s) known to consume the compound ==
+* [[1.1.1.170-RXN]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-113]]
+* [[1.1.1.170-RXN]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=gibberellin a29}}
+{{#set: common-name=3&beta;-hydroxy-4&beta;-methyl-5&alpha;-cholest-7-ene-4&alpha;-carboxylate}}
-{{#set: inchi-key=inchikey=bkbyhsyzkiajda-lpemzmrwsa-m}}
+{{#set: inchi-key=inchikey=uqfzktihsicspg-dshyqqbwsa-m}}
-{{#set: molecular-weight=347.387}}
+{{#set: molecular-weight=443.688}}