Difference between revisions of "CPD-602"

Revision as of 13:11, 14 January 2021

common-name:
- trans-adre-2-enoyl-coa
smiles:
- cccccc=ccc=ccc=ccc=ccccc=cc(=o)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-]
inchi-key:
- xsibquoflnivek-xpbiuritsa-j
molecular-weight:
- 1075.997

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite COPROPORPHYRINOGEN_III ==
+== Metabolite CPD-17368 ==
 * common-name:
-** coproporphyrinogen iii
+** trans-adre-2-enoyl-coa
 * smiles:
-** cc1(=c2(cc5(=c(c)c(ccc([o-])=o)=c(cc4(=c(ccc([o-])=o)c(c)=c(cc3(=c(ccc(=o)[o-])c(c)=c(cc(=c(ccc([o-])=o)1)n2)n3))n4))n5)))
+** cccccc=ccc=ccc=ccc=ccccc=cc(=o)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-]
 * inchi-key:
-** niuvhxtxuxofeb-uhfffaoysa-j
+** xsibquoflnivek-xpbiuritsa-j
 * molecular-weight:
-** 656.734
+** 1075.997
 == Reaction(s) known to consume the compound ==
-* [[HEMN-RXN]]
-* [[RXN-17517]]
-* [[RXN0-1461]]
 == Reaction(s) known to produce the compound ==
-* [[UROGENDECARBOX-RXN]]
+* [[RXN-16113]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=coproporphyrinogen iii}}
+{{#set: common-name=trans-adre-2-enoyl-coa}}
-{{#set: inchi-key=inchikey=niuvhxtxuxofeb-uhfffaoysa-j}}
+{{#set: inchi-key=inchikey=xsibquoflnivek-xpbiuritsa-j}}
-{{#set: molecular-weight=656.734}}
+{{#set: molecular-weight=1075.997}}