Difference between revisions of "DIHYDROKAEMPFEROL-CMPD"

Revision as of 15:25, 5 January 2021

common-name:
- 3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-(3r-hydroxyoctanoyl)-coa
smiles:
- ccc=ccc1(c(ccc(=o)1)cccccc(o)cc(sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op(=o)(occ2(c(op([o-])(=o)[o-])c(o)c(o2)n4(c3(=c(c(n)=nc=n3)n=c4))))[o-])[o-])=o)
inchi-key:
- pddhcvxpabqiso-xjjfhseksa-j
molecular-weight:
- 1055.92

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite COB-I-ALAMIN ==
+== Metabolite CPD-11519 ==
 * common-name:
-** cob(i)alamin
+** 3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-(3r-hydroxyoctanoyl)-coa
 * smiles:
-** cc%10(=c(c)c=c9(n8(c%12(oc(co)c(op([o-])(=o)oc(c)cnc(=o)ccc1(c)(c(cc(n)=o)[ch]%11(c7(c)(c(c)(cc(n)=o)c(ccc(=o)n)c6(c(c)=c5(c(cc(=o)n)(c)c(ccc(n)=o)c4(c=c3(c(c)(c)c(ccc(n)=o)c2(c(c)=c1n([co----]([n+]=23)([n+]=45)([n+]=67)[n+](=c8)c9=c%10)%11)))))))))c(o)%12))))
+** ccc=ccc1(c(ccc(=o)1)cccccc(o)cc(sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op(=o)(occ2(c(op([o-])(=o)[o-])c(o)c(o2)n4(c3(=c(c(n)=nc=n3)n=c4))))[o-])[o-])=o)
 * inchi-key:
-** omaokvyasdiyqg-dsrcudddsa-l
+** pddhcvxpabqiso-xjjfhseksa-j
 * molecular-weight:
-** 1329.36
+** 1055.92
 == Reaction(s) known to consume the compound ==
-* [[COBALADENOSYLTRANS-RXN]]
+* [[RXN-10698]]
-* [[ExchangeSeed-COB-I-ALAMIN]]
-* [[TransportSeed-COB-I-ALAMIN]]
 == Reaction(s) known to produce the compound ==
-* [[ExchangeSeed-COB-I-ALAMIN]]
+* [[RXN-10697]]
-* [[TransportSeed-COB-I-ALAMIN]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=cob(i)alamin}}
+{{#set: common-name=3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-(3r-hydroxyoctanoyl)-coa}}
-{{#set: inchi-key=inchikey=omaokvyasdiyqg-dsrcudddsa-l}}
+{{#set: inchi-key=inchikey=pddhcvxpabqiso-xjjfhseksa-j}}
-{{#set: molecular-weight=1329.36}}
+{{#set: molecular-weight=1055.92}}