Difference between revisions of "CPD-204"

Revision as of 13:11, 14 January 2021

common-name:
- trehalose-trans-keto-mono-mycolate
smiles:
- ccccccccccccccccccccccccccc(c(=o)occ2(c(o)c(o)c(o)c(oc1(c(o)c(o)c(o)c(co)o1))o2))c(o)ccccccccccccccccc3(cc3c(c)ccccccccccccccccc(=o)c(c)ccccccccccccccccc)
inchi-key:
- zhikieytxxjmog-uqwwgajesa-n
molecular-weight:
- 1590.555

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite E-PHENYLITACONYL-COA ==
+== Metabolite CPD1G-1354 ==
 * common-name:
-** (e)-2-benzylidenesuccinyl-coa
+** trehalose-trans-keto-mono-mycolate
 * smiles:
-** cc(c)(c(o)c(=o)nccc(=o)nccsc(=o)c(cc(=o)[o-])=cc1(c=cc=cc=1))cop(=o)(op(=o)(occ2(c(op([o-])(=o)[o-])c(o)c(o2)n4(c3(=c(c(n)=nc=n3)n=c4))))[o-])[o-]
+** ccccccccccccccccccccccccccc(c(=o)occ2(c(o)c(o)c(o)c(oc1(c(o)c(o)c(o)c(co)o1))o2))c(o)ccccccccccccccccc3(cc3c(c)ccccccccccccccccc(=o)c(c)ccccccccccccccccc)
 * inchi-key:
-** cizckpngzpendv-umuuvtgisa-i
+** zhikieytxxjmog-uqwwgajesa-n
 * molecular-weight:
-** 950.677
+** 1590.555
 == Reaction(s) known to consume the compound ==
-* [[RXN-902]]
 == Reaction(s) known to produce the compound ==
+* [[RXN1G-1439]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=(e)-2-benzylidenesuccinyl-coa}}
+{{#set: common-name=trehalose-trans-keto-mono-mycolate}}
-{{#set: inchi-key=inchikey=cizckpngzpendv-umuuvtgisa-i}}
+{{#set: inchi-key=inchikey=zhikieytxxjmog-uqwwgajesa-n}}
-{{#set: molecular-weight=950.677}}
+{{#set: molecular-weight=1590.555}}