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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 CHEMBL2069147 CHEMBL2074926 CHEMBL1414658 CHEMBL2220197 CHEMBL2146130
DrugBank DB04348
PDBe TCH
Guide to Pharmacology 4546 4547
ChEBI 28865 36276 36257
ZINC ZINC000008214684 ZINC000104860588 ZINC000085544562 ZINC000253497984 ZINC000253497985 ZINC000085627791 ZINC000261498852 ZINC000261498855 ZINC000040164310 ZINC000085544559 ZINC000038148343 ZINC000257591795 ZINC000082045407 ZINC000252428698 ZINC000118913346 ZINC000085544546 ZINC000017611607 ZINC000085627788 ZINC000017654513 ZINC000257591798 ZINC000118921632 ZINC000037858393 ZINC000118921631 ZINC000257591797 ZINC000118913702 ZINC000040164315 ZINC000118914620 ZINC000017611610 ZINC000261498853 ZINC000253497982 ZINC000118913345 ZINC000053683498 ZINC000257591796 ZINC000261498851 ZINC000253497983 ZINC000118921630 ZINC000040164312 ZINC000006858503 ZINC000095669889
eMolecules 29781378 36755566 30488209 713511 29262707 5824916 1937570 11340884 31264407 31266494 29936454
IBM Patent System 0A01BA80DC612DA2B97DBC723043925E 5C7CDAAE495A4854859DE149464BF423 96685AAF582009703FE0041CA923D6DD 5417C8C19BC2E87E3276247376080A42 D4B8CB809D833D873FDFE1EBC1793A51 F91D44C39C02E1361146B72A4D8CA54B 52188999E5D05E43D3339050188F1854
FDA SRS 5E090O0G3Z M6N3TH81NO 5ZU91PFW8G 25R9CK7UTX 5I7WUL2E3O
SureChEMBL SCHEMBL5081253 SCHEMBL7516408 SCHEMBL15539497 SCHEMBL5087174 SCHEMBL124237 SCHEMBL9900941 SCHEMBL9224412 SCHEMBL3705 SCHEMBL2319824 SCHEMBL8626404 SCHEMBL5083946 SCHEMBL4254 SCHEMBL207596 SCHEMBL14856281 SCHEMBL205933 SCHEMBL7563775 SCHEMBL17065839 SCHEMBL14856283 SCHEMBL9119422 SCHEMBL4253 SCHEMBL578866 SCHEMBL2734487 SCHEMBL6564621 SCHEMBL10231927 SCHEMBL10522340 SCHEMBL1492141 SCHEMBL19520932 SCHEMBL9224425 SCHEMBL9900942 SCHEMBL1458269 SCHEMBL3851143 SCHEMBL10696857 SCHEMBL13851619 SCHEMBL5392582 SCHEMBL9224965 SCHEMBL8626406 SCHEMBL5083951 SCHEMBL3693285 SCHEMBL5692818 SCHEMBL9690013 SCHEMBL3706 SCHEMBL205934 SCHEMBL5867454 SCHEMBL3455555 SCHEMBL20204257 SCHEMBL15974334 SCHEMBL15292871 SCHEMBL1653695 SCHEMBL2319831 SCHEMBL177919 SCHEMBL18393947 SCHEMBL16432254
Human Metabolome Database HMDB0000036 HMDB0000922 HMDB0000889
PubChem: Thomson Pharma 15805741 15944306 14860490 14934605 163461807 14788283 14836201 103021142
PubChem 90018477 87777476 23687511 87775520 88153203 134687231 88532356 45055433 129704242 101744229 131715942 88430042 6675 87776296 88334853 76963027 87078121 101627506 23666345 87078262 89497032 101540693 129854254 131717675 57348502 12359085 56846333 124897365 133564569 23638159 134688814 2818456 88011779 6604033 12359094 133564570 23672579 21252259 124511137 118356901 125040595 23703313 125040593 46936954 16759980 23719696 23696721 97043674 88161840 24211912 98619445 91884641 124897366 124364479 5321637 8959 23671023 125040592 23675753 11957443 9892729 44263378 87250842 133687180 73759779 56846334 132060330 124837206 126969227 99565401 88623910 24848976 23683815 5247 25203941 11957444 97043673 71486659 3083030 122362091 440567 88532357 23638462 131632375 124897364 5246 75487664 54422651 87776299 87559831 49874123 133687179 57348501 54422653 22867239 13020211 6604032 22852312 9829087 124422686 6851757 45052286 18635674 49764855 124364480 23678612 124518535 99566013 24883686 124219635 24893394 23671686 24893393 3083029 87878504 87078122 131706492 15038755 12359086 87529833 23638032 9871180 99565400 57696923 126456767 21252258 87128949 46783527 23714007 122361548 24211913 21060779 73759780 89830645 87370548 17754196 87271970 99565642 131632374 134688815 124897363 90358800 125040594 53300296 444349 86278397 131872651 134160111 134687202 129010165 76973729 71752331 76973726 76973728 76973727 129010164 9548794 126482086 133687178 124203144 117847045 131708262 124203145 54422652 117847044 72200432 91896241 124079511 4411029
LINCS LSM-5866
ACToR 113341-22-3 81-24-3 130860-43-4 145-42-6 124536-25-0
Recon tchola
MolPort MolPort-039-063-004 MolPort-046-417-384 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 MolPort-039-344-376
Nikkaji J2.208.355D J8.603G J3.010.152I J48.770H J517.698K J1.206.198F J1.250.556F J3.637.021A
BindingDB 50375594
EPA CompTox Dashboard DTXSID80858425
LipidMaps LMST05040001 LMST05040014 LMST05040019 LMST05040016
Metabolights MTBLC28865 MTBLC36257
Brenda 1260 105693 153413 2289 45181 4098 154398 2220 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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