Difference between revisions of "CPD-10262"

Latest revision as of 11:14, 18 March 2021

common-name:
- trans-octadec-2-enoyl-coa
smiles:
- cccccccccccccccc=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:
- nbccuihohukbmk-zddafbbhsa-j
molecular-weight:
- 1027.953

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-17063 ==
+== Metabolite CPD-10262 ==
 * common-name:
-** ferroheme o
+** trans-octadec-2-enoyl-coa
 * smiles:
-** c=cc4(=c(c)c8(=[n+]5([fe--]26([n+]1(=c(c(c)=c(ccc(=o)[o-])c1=cc3(n2c(=c(c)c(ccc(=o)[o-])=3)c=c45))c=c7(c(c)=c(c(o)ccc=c(ccc=c(c)ccc=c(c)c)c)c(n67)=c8))))))
+** cccccccccccccccc=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:
-** fispassvcdrerw-arqjtvbpsa-j
+** nbccuihohukbmk-zddafbbhsa-j
 * molecular-weight:
-** 836.852
+** 1027.953
 == Reaction(s) known to consume the compound ==
+* [[ECOAH8h]]
 == Reaction(s) known to produce the compound ==
-* [[HEMEOSYN-RXN]]
+* [[ECOAH8]]
+* [[ECOAH8h]]
+* [[RXN-9545]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=ferroheme o}}
+{{#set: common-name=trans-octadec-2-enoyl-coa}}
-{{#set: inchi-key=inchikey=fispassvcdrerw-arqjtvbpsa-j}}
+{{#set: inchi-key=inchikey=nbccuihohukbmk-zddafbbhsa-j}}
-{{#set: molecular-weight=836.852}}
+{{#set: molecular-weight=1027.953}}