Suspected duplicated metabolites from PubChem

[JHL-452b]

Current behavior:

Suspected duplicated metabolites from PubChem:

reference ID	met ID	affected rxns	Action for mets	Action for rxns	Comments
53477830	MAM02640c MAM03790c MAM02640m MAM03790m	No	replace MAM03790c to MAM02640c; replace MAM03790m to MAM02640m	No	chiral metabolites, keep it for now
53477846	MAM00131c MAM03354c MAM00131r MAM03354r	(MAR02401 MAR03441)	remove MAM03354c; replace MAM03354r to MAM00131r	remove MAR03441	same as EHMN: CE4837
26840	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
22833562	MAM00678c MAM03543c	No	replace MAM03543c to MAM00678c	No	suspect chiral metabolites, keep it for now
22833583	MAM02443c MAM03494c	MAR02599 MAR05434	replace MAM03494c to MAM02443c	remove MAR05434	chiral metabolites, keep it for now
168381	MAM01729c MAM03540c MAM03540e	(MAR02602 MAR04506)	replace MAM03540c to MAM01729c; replace MAM03540e to MAM01729e	remove MAR04506
563	MAM00684c MAM03325c	No	replace MAM03325c to MAM00684c	No	same as HMDB: HMDB0001527
5312983	MAM00307c MAM00324c MAM00307r MAM00324r	No	replace MAM00324c to MAM00307c; replace MAM00324r to MAM00307r	No	suspect chiral metabolites, keep it for now
16061126	MAM00028c MAM00029c	No	replace MAM00029c to MAM00028c	No	same as EHMN: CE7090
5280581	MAM01696c MAM03332c MAM01696e MAM03332e	(MAR00407 MAR10164) (MAR00576 MAR10433)	remove MAM03332c and MAM03332e	remove MAR10164 and MAR10433	same as EHMN: CE2516
5280771	MAM03203m MAM03967m	(MAR05075 MAR06418) (MAR05123 MAR06437)	remove MAM03967m	remove MAR06418 and MAR06437	suspect chiral metabolites, keep it for now
5281877	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	same as HMDB: HMDB0003141
5283078	MAM02789c MAM01221c	No	replace MAM01221c to MAM02789c	No	suspect chiral metabolites, keep it for now
10133	MAM01435c MAM03318c MAM01435e MAM03318e MAM01435r MAM03318r	No	replace MAM03318c to MAM01435c; replace MAM03318e to MAM01435e; replace MAM03318r to MAM01435r	No	same as HMDB: HMDB0000518
536537	MAM01057c MAM03346c	(MAR06685 MAR03031)	remove MAM03346c	remove MAR03031	suspect chiral metabolites, keep it for now
440690	MAM00748m MAM03368m MAM00748x MAM03368x	No	replace MAM03368m to MAM00748m; replace MAM03368x to MAM00748x	No	same as EHMN: CE5169
6438629	MAM00993c MAM01006c MAM00993r	(MAR06702 MAR08700)	replace MAM00993c to MAM01006c; replace MAM00993r to MAM01006r	remove MAR06700	same as HMDB: HMDB0006254
21252281	MAM01576m MAM01576x MAM03978m MAM03978x MAM04041m	No	replace MAM03978m to MAM01576m; replace MAM03978x to MAM01576x; replace MAM04041m to MAM01576m	No	suspect chiral metabolites, keep it for now
638015	MAM01230c MAM02832c		change PubChem ID annotation for MAM01230c to 6436082		No duplicates
6610221	MAM01201m MAM01206m				No duplicates
11953816	MAM02411c MAM02676c MAM02411m MAM02676m MAM02411r MAM02676r MAM02411e MAM02676e MAM02411x		change PubChem ID annotation for MAM02676 to 129849228		No duplicates
193321	MAM01090c MAM01090m MAM01092c MAM01092m				No duplicates
5280355	MAM02647x MAM03789x		change PubChem ID annotation for MAM02647x to 5497111		No duplicates
53480665	MAM03021m MAM02698m MAM03021x MAM02698x		change PubChem ID annotation for MAM03021 to 5280770		No duplicates
735	MAM03026c MAM03590c				No duplicates
890	MAM00531c MAM00531n MAM02492c MAM02492n		change PubChem ID annotation for MAM00531 to 96024277		No duplicates
169691	MAM02118c MAM02118l MAM02118m MAM02118e MAM02119c MAM02119l MAM02119m MAM02119e				No duplicates
15667	MAM02678c MAM02678m MAM02678x MAM02678r MAM02679e		change PubChem ID annotation for MAM02678 to 644109; change PubChem ID annotation for MAM02679e to 439322		No duplicates

• remove rxns MAR04506
• change PubChem ID annotations for MAM01230c, MAM02676c, MAM02676m, MAM02676r, MAM02676e, MAM02647x, MAM03021m, MAM03021x, MAM00531c, MAM00531n, MAM02678c, MAM02678m, MAM02678x, MAM02678r, MAM02679e
• replace mets

old ID	new ID
MAM03540c	MAM01729c
MAM03540e	MAM01729e

[haowang-bioinfo]

keep up with the good job @JHL-452b

[feiranl]

Good to go!

[haowang-bioinfo]

fixed in #662