Suspected duplicated metabolites from HMDB

[JHL-452b]

Current behavior:

Suspected duplicated metabolites from HMDB:

reference ID	met ID	affected rxns	Action for mets	Action for rxns	Comments
HMDB0006254	MAM00993c MAM00993r MAM01006c MAM01006e MAM01006n	(MAR06700 MAR08700)	replace MAM00993c to MAM01006c; replace MAM00993r to MAM01006r	remove MAR06700	suspected chiral isomers, keep it for now
HMDB0002925	MAM01696c MAM03332c MAM01696e MAM03332e	(MAR00407 MAR10164) (MAR00576 MAR10433)	remove MAM03332c and MAM03332e	remove MAR10164 and MAR10433	same as EHMN: CE2516
HMDB0006516	MAM00131c MAM03354c MAM00131r MAM03354r	(MAR02401 MAR03441)	remove MAM03354c; replace MAM03354r to MAM00131r	remove MAR03441	same as EHMN: CE4837
HMDB0006891	MAM00748m MAM03368m MAM00748x MAM03368x	No	replace MAM03368m to MAM00748m; replace MAM03368x to MAM00748x	No	same as EHMN: CE5169
HMDB0000518	MAM01435c MAM03318c MAM01435e MAM03318e MAM01435r MAM03318r	(MAR01853 MAR02276) (MAR01854 MAR02277) (MAR01864 MAR02384) (MAR01886 MAR02390) (MAR01887 MAR02392) (MAR01888 MAR02394) (MAR10026 MAR04144) (MAR01729 MAR10447)	remove MAM03318e; replace MAM03318c to MAM01435c; replace MAM03318r to MAM01435r; replace MAM03318m to MAM01435m	remove MAR02276, MAR02277, MAR02384, MAR02390, MAR02392, MAR02394, MAR04144 and MAR10447	Yes, duplicates
HMDB0000801	MAM02746c MAM03884c MAM02746e MAM03884e MAM02746x MAM03884x	(MAR00440 MAR01617) (MAR03480 MAR00740) (MAR09037 MAR00659) (MAR03482 MAR05323)	remove MAM03884c and MAM03884e; replace MAM03884x to MAM02746x	remove MAR01617, MAR00740, MAR00659 and MAR05323	same as Bigg: phyt
HMDB0001527	MAM00684c MAM03325c	No	replace MAM03325c to MAM00684c	No	Yes, duplicates
HMDB0003141	MAM00353c MAM02836c MAM00353e MAM02836e MAM00353r MAM02836r	(MAR08718 MAR08714) (MAR09210 MAR09405) (MAR08717 MAR08713) (MAR08719 MAR08715)	remove MAM02836c, MAM02836e and MAM02836r	remove MAR08714, MAR09405, MAR08713 and MAR08715	Suspected chiral isomers, keep them for now
HMDB0000801	MAM02678c MAM02678m MAM02678x MAM02678r MAM02679e		change HMDB ID annotation for MAM02679e to HMDB0003426		No duplicates
HMDB0001231	MAM01090c MAM01092c MAM01090m MAM01092m		change HMDB ID annotation for MAM01090c and MAM01090m to HMDB0006264		No duplicates

• remove mets MAM03318e
• remove rxns MAR02276, MAR02277, MAR02384, MAR02390, MAR02392, MAR02394, MAR04144 and MAR10447
• change HMDB ID annotations for MAM02679e, MAM01090c and MAM01090m
• replace mets

old ID	new ID
MAM03318c	MAM01435c
MAM03318m	MAM01435m
MAM03318r	MAM01435r
MAM03325c	MAM00684c

[feiranl]

Great job! Please go ahead and make changes!

[haowang-bioinfo]

fixed in #663