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UniChem Connectivity Layer Cross References

Legend

Letters 's', 'i' and 'p' describe how structures differ from structure with InChI Key WBWWGRHZICKQGZ-HZAMXZRMSA-N

  • s = stereochemical difference.
  • i = isotopic difference.
  • p = protonation differences identified.



Source Identical Component s i p si ip sp sip
ChEMBL CHEMBL1361792 CHEMBL224867 CHEMBL443728 CHEMBL2069151 CHEMBL1594626 CHEMBL2220197 CHEMBL2069147 CHEMBL1414658 CHEMBL2074926 CHEMBL2146130
DrugBank DB04348
PDBe TCH
Guide to Pharmacology 4547 4546
ChEBI 28865 36276 36257
ZINC ZINC000008214684 ZINC000118921630 ZINC000253497983 ZINC000053683498 ZINC000040164312 ZINC000118913702 ZINC000095669889 ZINC000017611610 ZINC000261498853 ZINC000257591796 ZINC000257591798 ZINC000085544546 ZINC000257591795 ZINC000252428698 ZINC000085627788 ZINC000085627791 ZINC000261498852 ZINC000261498855 ZINC000040164310 ZINC000082045407 ZINC000118913346 ZINC000118913345 ZINC000006858503 ZINC000261498851 ZINC000253497982 ZINC000257591797 ZINC000040164315 ZINC000037858393 ZINC000118921631 ZINC000118921632 ZINC000253497985 ZINC000038148343 ZINC000017611607 ZINC000017654513 ZINC000085544559 ZINC000253497984 ZINC000104860588 ZINC000085544562 ZINC000118914620
eMolecules 29781378 36755566 30488209 713511 29262707 5824916 1937570 11340884 31264407 31266494 29936454
IBM Patent System 0A01BA80DC612DA2B97DBC723043925E D4B8CB809D833D873FDFE1EBC1793A51 5417C8C19BC2E87E3276247376080A42 96685AAF582009703FE0041CA923D6DD 5C7CDAAE495A4854859DE149464BF423 F91D44C39C02E1361146B72A4D8CA54B 52188999E5D05E43D3339050188F1854
FDA SRS 5E090O0G3Z M6N3TH81NO 5ZU91PFW8G 25R9CK7UTX 5I7WUL2E3O
SureChEMBL SCHEMBL2319824 SCHEMBL8626404 SCHEMBL14856281 SCHEMBL207596 SCHEMBL124237 SCHEMBL5081253 SCHEMBL205933 SCHEMBL9900941 SCHEMBL3705 SCHEMBL4254 SCHEMBL9224412 SCHEMBL7516408 SCHEMBL5087174 SCHEMBL15539497 SCHEMBL5083946 SCHEMBL5867454 SCHEMBL3455555 SCHEMBL13851619 SCHEMBL15974334 SCHEMBL2319831 SCHEMBL3706 SCHEMBL1653695 SCHEMBL10696857 SCHEMBL578866 SCHEMBL10522340 SCHEMBL1492141 SCHEMBL19520932 SCHEMBL6564621 SCHEMBL7563775 SCHEMBL2734487 SCHEMBL9119422 SCHEMBL3693285 SCHEMBL5692818 SCHEMBL8626406 SCHEMBL205934 SCHEMBL15292871 SCHEMBL9224965 SCHEMBL5392582 SCHEMBL9690013 SCHEMBL5083951 SCHEMBL20204257 SCHEMBL4253 SCHEMBL3851143 SCHEMBL9900942 SCHEMBL9224425 SCHEMBL1458269 SCHEMBL10231927 SCHEMBL17065839 SCHEMBL14856283 SCHEMBL177919 SCHEMBL18393947 SCHEMBL16432254
Human Metabolome Database HMDB0000036 HMDB0000922 HMDB0000889
PubChem: Thomson Pharma 15805741 15944306 163461807 14934605 14836201 14860490 14788283 103021142
PubChem 87078121 88334853 131717675 129704242 101744229 129854254 101540693 45055433 87775520 87078262 89497032 131715942 88532356 6675 101627506 23666345 87776296 88430042 88153203 134687231 87777476 90018477 23687511 76963027 87271970 99565642 13020211 9829087 133687179 87559831 87370548 90358800 57696923 126456767 87529833 23638032 21060779 9871180 49874123 87878504 44263378 126969227 23675753 9892729 122362091 99565401 133687180 73759779 24883686 124219635 124364480 124518535 86278397 46783527 21252258 440567 88623910 23638462 71486659 11957444 97043673 11957443 125040592 132060330 56846334 124837206 87250842 8959 23671023 5321637 88011779 125040593 125040595 46936954 23719696 87128949 124897364 23696721 97043674 2818456 21252259 134688814 57348502 88161840 88532357 131632375 131706492 17754196 87078122 22867239 22852312 6604032 73759780 89830645 125040594 124897363 53300296 444349 131632374 134688815 124422686 54422653 24893393 24893394 3083029 49764855 23678612 18635674 23671686 45052286 54422651 57348501 75487664 87776299 6851757 24211913 99565400 133564570 12359094 23672579 12359085 124897365 56846333 6604033 124364479 23683815 3083030 24848976 5247 25203941 23638159 133564569 5246 16759980 23714007 122361548 15038755 12359086 23703313 124897366 118356901 124511137 24211912 98619445 91884641 99566013 71752331 76973729 134160111 134687202 76973727 129010164 76973728 131872651 129010165 76973726 9548794 126482086 133687178 124203144 131708262 117847044 54422652 117847045 124203145 124079511 4411029 72200432 91896241
LINCS LSM-5866
ACToR 113341-22-3 130860-43-4 81-24-3 145-42-6 124536-25-0
Recon tchola
MolPort MolPort-039-063-004 MolPort-006-111-053 MolPort-002-904-649 MolPort-004-960-130 MolPort-046-033-771 MolPort-028-960-262 MolPort-044-194-943 MolPort-044-727-652
Nikkaji J3.010.152I J2.208.355D J8.603G J48.770H J1.250.556F J517.698K J1.206.198F J3.637.021A
BindingDB 50375594
EPA CompTox Dashboard DTXSID80858425
LipidMaps LMST05040001 LMST05040019 LMST05040014 LMST05040016
Metabolights MTBLC28865 MTBLC36257
Brenda 2289 154398 45181 153413 1260 2220 105693 4098 95078
Rhea 36257

UniChem REST Service Call: https://www.ebi.ac.uk/unichem/rest/key_search/WBWWGRHZICKQGZ-HZAMXZRMSA-N/0/0/4
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