Difference between revisions of "CPD1G-774"

Latest revision as of 11:13, 18 March 2021

common-name:
- 6-o-trans-keto-mycolyl-trehalose 6-phosphate
smiles:
- ccccccccccccccccccccccccccc(c(=o)occ2(c(o)c(o)c(o)c(oc1(c(o)c(o)c(o)c(cop(=o)([o-])[o-])o1))o2))c(o)ccccccccccccccccc3(cc3c(c)ccccccccccccccccc(=o)c(c)ccccccccccccccccc)
inchi-key:
- wftjpliccfeydd-uqwwgajesa-l
molecular-weight:
- 1668.519

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite 44-DIMETHYL-824-CHOLESTADIENOL ==
+== Metabolite CPD1G-774 ==
 * common-name:
-** 4,4-dimethylzymosterol
+** 6-o-trans-keto-mycolyl-trehalose 6-phosphate
 * smiles:
-** cc(c)=cccc(c)[ch]3(cc[ch]4(c2(cc[ch]1(c(c)(c)c(o)ccc(c)1c=2ccc(c)34))))
+** ccccccccccccccccccccccccccc(c(=o)occ2(c(o)c(o)c(o)c(oc1(c(o)c(o)c(o)c(cop(=o)([o-])[o-])o1))o2))c(o)ccccccccccccccccc3(cc3c(c)ccccccccccccccccc(=o)c(c)ccccccccccccccccc)
 * inchi-key:
-** chgikssznbcndw-qgbojxoesa-n
+** wftjpliccfeydd-uqwwgajesa-l
 * molecular-weight:
-** 412.698
+** 1668.519
 == Reaction(s) known to consume the compound ==
-* [[RXN-13712]]
+* [[RXN1G-1439]]
-* [[RXN-13712-44-DIMETHYL-824-CHOLESTADIENOL/NADH/OXYGEN-MOLECULE/PROTON//CPD-4577/NAD/WATER.79.]]
-* [[RXN-13712-44-DIMETHYL-824-CHOLESTADIENOL/NADPH/OXYGEN-MOLECULE/PROTON//CPD-4577/NADP/WATER.81.]]
 == Reaction(s) known to produce the compound ==
-* [[RXN66-306]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=4,4-dimethylzymosterol}}
+{{#set: common-name=6-o-trans-keto-mycolyl-trehalose 6-phosphate}}
-{{#set: inchi-key=inchikey=chgikssznbcndw-qgbojxoesa-n}}
+{{#set: inchi-key=inchikey=wftjpliccfeydd-uqwwgajesa-l}}
-{{#set: molecular-weight=412.698}}
+{{#set: molecular-weight=1668.519}}