Difference between revisions of "3-BETA-HYDROXYANDROST-5-EN-17-ONE"

Revision as of 13:11, 14 January 2021

smiles:
- cc=c5(c(c)c9(n6([mg]27(n1(c(c(c)c(ccc(=o)[o-])c=1c4([c-](c(oc)=o)c(=o)c3(=c(c)c(n2c3=4)=cc5=6)))=cc8(=c(c)c(c(c)=o)=c(n78)c=9))))))
common-name:
- bacteriochlorophyllide b
molecular-weight:
- 628.966

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-15689 ==
+== Metabolite CPD-18885 ==
+* smiles:
+** cc=c5(c(c)c9(n6([mg]27(n1(c(c(c)c(ccc(=o)[o-])c=1c4([c-](c(oc)=o)c(=o)c3(=c(c)c(n2c3=4)=cc5=6)))=cc8(=c(c)c(c(c)=o)=c(n78)c=9))))))
 * common-name:
-** (2e,5e)-dodeca-2,5-dienoyl-coa
+** bacteriochlorophyllide b
-* smiles:
-** ccccccc=ccc=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:
-** zsjrxhrcabosnc-uovvplbnsa-j
 * molecular-weight:
-** 941.776
+** 628.966
 == Reaction(s) known to consume the compound ==
-* [[RXN-14801]]
+* [[RXN-17480]]
 == Reaction(s) known to produce the compound ==
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=(2e,5e)-dodeca-2,5-dienoyl-coa}}
+{{#set: common-name=bacteriochlorophyllide b}}
-{{#set: inchi-key=inchikey=zsjrxhrcabosnc-uovvplbnsa-j}}
+{{#set: molecular-weight=628.966}}
-{{#set: molecular-weight=941.776}}