Difference between revisions of "HEPARIN-GLUCOSAMINE-3-O-SULFATE"

Revision as of 14:54, 5 January 2021

common-name:
- (2e)-oct-2-enoyl-coa
smiles:
- cccccc=cc(=o)sccnc(=o)ccnc(c(o)c(c)(c)cop([o-])(=o)op([o-])(=o)occ1(c(op(=o)([o-])[o-])c(o)c(o1)n3(c=nc2(c(n)=nc=nc=23))))=o
inchi-key:
- cpsdnaxxkwvyiy-ntlmcjqisa-j
molecular-weight:
- 887.685

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-11412 ==
+== Metabolite CPD0-2108 ==
 * common-name:
-** triiodothyroacetate ester glucuronide
+** (2e)-oct-2-enoyl-coa
 * smiles:
-** c(oc1(c(o)c(o)c(o)c(c(=o)[o-])o1))(=o)cc2(c=c(i)c(=c(i)c=2)oc3(=cc(i)=c(o)c=c3))
+** cccccc=cc(=o)sccnc(=o)ccnc(c(o)c(c)(c)cop([o-])(=o)op([o-])(=o)occ1(c(op(=o)([o-])[o-])c(o)c(o1)n3(c=nc2(c(n)=nc=nc=23))))=o
 * inchi-key:
-** fpejnmnxcsitjo-kfyubchvsa-m
+** cpsdnaxxkwvyiy-ntlmcjqisa-j
 * molecular-weight:
-** 797.054
+** 887.685
 == Reaction(s) known to consume the compound ==
+* [[RXN-14229]]
+* [[RXN-14276]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-10618]]
+* [[ACOA80OR]]
+* [[RXN-12669]]
+* [[RXN-14229]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=triiodothyroacetate ester glucuronide}}
+{{#set: common-name=(2e)-oct-2-enoyl-coa}}
-{{#set: inchi-key=inchikey=fpejnmnxcsitjo-kfyubchvsa-m}}
+{{#set: inchi-key=inchikey=cpsdnaxxkwvyiy-ntlmcjqisa-j}}
-{{#set: molecular-weight=797.054}}
+{{#set: molecular-weight=887.685}}