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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 CHEMBL224867 CHEMBL1361792 CHEMBL443728 CHEMBL1594626 CHEMBL2074926 CHEMBL2069151 CHEMBL2069147 CHEMBL1414658 CHEMBL2220197 CHEMBL2146130
DrugBank DB04348
PDBe TCH
Guide to Pharmacology 4546 4547
ChEBI 28865 36276 36257
ZINC ZINC000008214684 ZINC000118921631 ZINC000257591797 ZINC000253497982 ZINC000085627788 ZINC000017611607 ZINC000037858393 ZINC000085544559 ZINC000038148343 ZINC000017654513 ZINC000118913345 ZINC000006858503 ZINC000252428698 ZINC000118921630 ZINC000082045407 ZINC000257591795 ZINC000085544546 ZINC000118913346 ZINC000040164312 ZINC000118913702 ZINC000040164315 ZINC000257591796 ZINC000261498851 ZINC000118921632 ZINC000261498853 ZINC000053683498 ZINC000118914620 ZINC000253497983 ZINC000017611610 ZINC000257591798 ZINC000261498852 ZINC000104860588 ZINC000085544562 ZINC000253497984 ZINC000253497985 ZINC000085627791 ZINC000261498855 ZINC000040164310 ZINC000095669889
eMolecules 36755566 29781378 713511 30488209 5824916 31264407 29262707 1937570 31266494 11340884 29936454
IBM Patent System 0A01BA80DC612DA2B97DBC723043925E 96685AAF582009703FE0041CA923D6DD 5417C8C19BC2E87E3276247376080A42 5C7CDAAE495A4854859DE149464BF423 D4B8CB809D833D873FDFE1EBC1793A51 F91D44C39C02E1361146B72A4D8CA54B 52188999E5D05E43D3339050188F1854
FDA SRS 5E090O0G3Z M6N3TH81NO 5ZU91PFW8G
SureChEMBL SCHEMBL9900941 SCHEMBL5087174 SCHEMBL14856281 SCHEMBL207596 SCHEMBL124237 SCHEMBL3705 SCHEMBL15539497 SCHEMBL4254 SCHEMBL5081253 SCHEMBL7516408 SCHEMBL205933 SCHEMBL8626404 SCHEMBL5083946 SCHEMBL2319824 SCHEMBL9224412 SCHEMBL10231927 SCHEMBL1458269 SCHEMBL15974334 SCHEMBL15292871 SCHEMBL6564621 SCHEMBL1653695 SCHEMBL2319831 SCHEMBL3851143 SCHEMBL5867454 SCHEMBL1492141 SCHEMBL19520932 SCHEMBL13851619 SCHEMBL10522340 SCHEMBL3455555 SCHEMBL9900942 SCHEMBL9224425 SCHEMBL205934 SCHEMBL3706 SCHEMBL4253 SCHEMBL9119422 SCHEMBL7563775 SCHEMBL5692818 SCHEMBL2734487 SCHEMBL578866 SCHEMBL177919 SCHEMBL17065839 SCHEMBL9690013 SCHEMBL9224965 SCHEMBL8626406 SCHEMBL5392582 SCHEMBL14856283 SCHEMBL3693285 SCHEMBL5083951 SCHEMBL10696857 SCHEMBL18393947 SCHEMBL16432254
Human Metabolome Database HMDB0000036 HMDB0000922 HMDB0000889
PubChem: Thomson Pharma 15805741 15944306 14860490 14934605 14836201 163461807 14788283 103021142
PubChem 88532356 89497032 101540693 87777476 90018477 131715942 87078262 45055433 6675 129704242 101744229 23687511 131675009 87078121 76963027 87775520 131717675 88153203 88334853 132939418 129854254 101627506 23666345 87776296 88430042 25203941 125040594 97043673 53300296 11957444 444349 5247 124897363 3083030 21060779 90358800 71486659 24848976 23683815 5321637 131632374 17754196 87370548 99565642 87271970 21252259 131706492 73759780 133564570 124364479 89830645 6604033 88011779 12359094 24211913 131632375 124837206 126969227 12359086 87250842 23671023 44263378 132060330 56846334 73759779 23714007 122361548 126456767 57696923 133687180 8959 125040592 122362091 440567 88532357 23638462 9871180 99565400 23638032 87529833 9892729 23675753 11957443 99565401 88623910 23672579 2818456 3083029 125040595 125040593 87878504 24883686 124219635 23703313 131674116 23671686 131675159 24893394 97043674 23696721 24893393 49764855 46936954 87128949 99566013 5246 124518535 21252258 86278397 124897364 16759980 131674060 18635674 23719696 124364480 23678612 124897366 45052286 57348502 9829087 54422653 57348501 75487664 54422651 124422686 12359085 13020211 87078122 22867239 6604032 22852312 87776299 56846333 88161840 24211912 49874123 98619445 6851757 91884641 118356901 124511137 124897365 87559831 23638159 133687179 133564569 46783527 76973727 71752331 76973729 129010165 76973728 131668284 76973726 131872651 129010164 9548794 133687178 126482086 124203144 117847045 131708262 124203145 54422652 117847044 72200432 91896241 124079511 4411029
LINCS LSM-5866
ACToR 113341-22-3 81-24-3 130860-43-4 124536-25-0 145-42-6
Recon tchola
MolPort MolPort-039-063-004 MolPort-006-111-053 MolPort-002-904-649 MolPort-028-960-262 MolPort-004-960-130 MolPort-044-194-943 MolPort-046-033-771 MolPort-044-727-652
Nikkaji J8.603G J2.208.355D J3.010.152I J48.770H J1.206.198F J517.698K J1.250.556F J3.637.021A
BindingDB 50375594
EPA CompTox Dashboard DTXSID80858425
LipidMaps LMST05040001 LMST05040016 LMST05040014 LMST05040019
Metabolights MTBLC28865 MTBLC36257
Brenda 154398 2289 153413 45181 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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