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ModelSEED / ModelSEEDDatabase

This repository contains the definitive copy of the biochemistry and metadata used to construct models using the ModelSEED/ProbAnno approach
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Compound with unexpected characters in formula #43

Closed JamesJeffryes closed 6 years ago

JamesJeffryes commented 7 years ago

From @smoretti on October 7, 2016 15:11

Hi

I found some compounds with unexpected characters in formula E.g.

Copied from original issue: ModelSEED/ModelSEED-UI#58

JamesJeffryes commented 7 years ago

From @smoretti on October 14, 2016 13:55

Also for cpd19876 with C33H60I2O10n Is n for the whole formula?

mmundy42 commented 7 years ago

Here are more compounds with unexpected characters in the formula:

cpd11658: C12H20O102 cpd11720: C5H11O7P2 cpd11746: C6H10O52 cpd11851: C6H10O52 cpd12039: H2O6P22 cpd12077: C5H82 cpd12120: C6H10O52 cpd12148: C6H10O52 cpd12163: C12H20O112 cpd12234: C6H11O6 cpd12434: C25H45NO8R cpd12511: C24H41O21 cpd12759: C5H7NO3*2 cpd19503: C10H10N5O6PS2.Mo.O2 cpd19935: CH3.Hg cpd20971: C45H57N5O13.Co cpd21288: C19H22N8O13P2S2.Mo.O2 cpd22240: C62H90N13O17P2.C10H12N5O3.Co cpd24099: C61H86N13O14P.Co cpd24567: Pb.S cpd24797: C42H47N6O14.Ni cpd24798: C42H47N6O14.Ni cpd24958: C42H41N5O15.Fe cpd25050: C10H10N5O6PS2.Mo.O.S cpd25093: C7H3NO2S2.ClH.Cu cpd25094: C7H2NO2S2.Cl2H2.Cu cpd25095: C8H2Cl3NO2S2.Cl2H2.Cu cpd25097: C7H3NO3S.ClH.Cu cpd25539: C42H37N4O16.Co cpd25541: C45H53N4O14.Co cpd26289: Cl3.Fe cpd26290: Cl2.Fe cpd30665: C25H30N3.ClH cpd30678: C8H8Cl2N2S.ClH

samseaver commented 6 years ago

This was fixed in a recent PR where all formulas were "merged".