Difference between revisions of "CPD1G-1345"

Latest revision as of 11:14, 18 March 2021

common-name:
- trehalose-cis-methoxy-mono-mycolate
smiles:
- ccccccccccccccccccccccccc(c(occ1(oc(c(c(c1o)o)o)oc2(c(c(c(c(o2)co)o)o)o)))=o)c(o)cccccccccccccccccc3(c(ccccccccccccccccc(oc)c(c)cccccccccccccccccc)c3)
inchi-key:
- brqkyadgwzgfar-zvnwtmltsa-n
molecular-weight:
- 1578.544

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-17385 ==
+== Metabolite CPD1G-1345 ==
 * common-name:
-** (6z,9z,12z,15z,18z,21z)-tetracosahexaenoyl-coa
+** trehalose-cis-methoxy-mono-mycolate
 * smiles:
-** ccc=ccc=ccc=ccc=ccc=ccc=cccccc(sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op(=o)(occ1(c(op([o-])(=o)[o-])c(o)c(o1)n3(c2(=c(c(n)=nc=n2)n=c3))))[o-])[o-])=o
+** ccccccccccccccccccccccccc(c(occ1(oc(c(c(c1o)o)o)oc2(c(c(c(c(o2)co)o)o)o)))=o)c(o)cccccccccccccccccc3(c(ccccccccccccccccc(oc)c(c)cccccccccccccccccc)c3)
 * inchi-key:
-** krifzirxaaithr-kwfbmmabsa-j
+** brqkyadgwzgfar-zvnwtmltsa-n
 * molecular-weight:
-** 1102.034
+** 1578.544
 == Reaction(s) known to consume the compound ==
-* [[RXN-16134]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-16132]]
+* [[RXN1G-1436]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=(6z,9z,12z,15z,18z,21z)-tetracosahexaenoyl-coa}}
+{{#set: common-name=trehalose-cis-methoxy-mono-mycolate}}
-{{#set: inchi-key=inchikey=krifzirxaaithr-kwfbmmabsa-j}}
+{{#set: inchi-key=inchikey=brqkyadgwzgfar-zvnwtmltsa-n}}
-{{#set: molecular-weight=1102.034}}
+{{#set: molecular-weight=1578.544}}