Difference between revisions of "SJ12901"

Revision as of 14:19, 26 August 2019

common-name:
- 6-o-cis-keto-mycolyl-trehalose 6-phosphate
smiles:
- ccccccccccccccccccccccccc(c(occ1(oc(c(c(c1o)o)o)oc2(c(c(c(c(o2)cop([o-])(=o)[o-])o)o)o)))=o)c(o)cccccccccccccccccccc3(cc(ccccccccccccccccc(=o)c(cccccccccccccccccc)c)3)
inchi-key:
- zltumijwnaqhqs-wbsumzshsa-l
molecular-weight:
- 1668.519

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ITACONATE ITACONATE] ==
+== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD1G-773 CPD1G-773] ==
 * common-name:
-** itaconate
+** 6-o-cis-keto-mycolyl-trehalose 6-phosphate
 * smiles:
-** c=c(c(=o)[o-])cc([o-])=o
+** ccccccccccccccccccccccccc(c(occ1(oc(c(c(c1o)o)o)oc2(c(c(c(c(o2)cop([o-])(=o)[o-])o)o)o)))=o)c(o)cccccccccccccccccccc3(cc(ccccccccccccccccc(=o)c(cccccccccccccccccc)c)3)
 * inchi-key:
-** lvhbhzanlowsrm-uhfffaoysa-l
+** zltumijwnaqhqs-wbsumzshsa-l
 * molecular-weight:
-** 128.084
+** 1668.519
 == Reaction(s) known to consume the compound ==
-* [[RXN-8988]]
+* [[RXN1G-1438]]
 == Reaction(s) known to produce the compound ==
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=itaconate}}
+{{#set: common-name=6-o-cis-keto-mycolyl-trehalose 6-phosphate}}
-{{#set: inchi-key=inchikey=lvhbhzanlowsrm-uhfffaoysa-l}}
+{{#set: inchi-key=inchikey=zltumijwnaqhqs-wbsumzshsa-l}}
-{{#set: molecular-weight=128.084}}
+{{#set: molecular-weight=1668.519}}