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UniChem Connectivity Layer Cross References

Legend

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

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



Source Identical Component s i p si ip sp sip
ChEMBL CHEMBL290345 CHEMBL3348832
PDBe SKM
KEGG Ligand C00493
ChEBI 16119 132329 36208
ZINC ZINC000003860720 ZINC000005273809 ZINC000008681449 ZINC000003870233 ZINC000004025808 ZINC000003870235 ZINC000009214237 ZINC000003870234
eMolecules 531403 36516832 36760095 29549772
IBM Patent System 1CBAF232FF02CC01653361513A365D5C 5622697B4DED0CA7CD92BE16945EF91F 1862017F94C0A8C02452AD1DBB1C404D 3729B7406A9A96D62FB123F3CB6D024A 29DDC338071AAB6A3605A822DB0C8F38 505D4D47C6EAF0BBE04061448F7C979F A8E94BE741AF72B663E2AD8BFFCA4D1B 991DDBD63958DC392AED5335BA5DB07F FE7FCDBFB9021224F1D75AF198B190EF 7B3F93314D97B043977C3645961C0F36
FDA SRS 29MS2WI2NU
SureChEMBL SCHEMBL16915299 SCHEMBL5325325 SCHEMBL7821291 SCHEMBL43377 SCHEMBL5874159 SCHEMBL2781123 SCHEMBL8943144 SCHEMBL5874876 SCHEMBL15144346 SCHEMBL10042220 SCHEMBL5875404 SCHEMBL5874873 SCHEMBL5875125 SCHEMBL9619090 SCHEMBL19260563 SCHEMBL5874967 SCHEMBL5874970 SCHEMBL5874872 SCHEMBL13577074 SCHEMBL5874234 SCHEMBL5874291 SCHEMBL5874962 SCHEMBL43376 SCHEMBL5874809 SCHEMBL5875338 SCHEMBL5874799 SCHEMBL5875333 SCHEMBL5874185 SCHEMBL12833224 SCHEMBL4394639 SCHEMBL5874450 SCHEMBL5874199 SCHEMBL5874254 SCHEMBL5874598 SCHEMBL9885028 SCHEMBL5874728 SCHEMBL12761890 SCHEMBL12761899 SCHEMBL12761891 SCHEMBL12761896
Human Metabolome Database HMDB0003070 HMDB0130150
Selleck Shikimic-acid(Shikimate)
PubChem: Thomson Pharma 26516664 14748221 140109267 16902449 16044871 16423009 14968145 15091495 15995852
PubChem 118239204 16656776 69406016 8742 131737518 59054327 21626190 21903411 21902703 67532254 21903549 16758061 21902907 21903375 21903170 7076075 10986763 21902919 11789701 24202011 15117162 130345694 21903367 21902966 21902912 21902827 49867941 40970370 69027491 21903059 21903440 125909 21902995 21902724 12315501 24202010 21903077 21903141 42626655 50919565 5107317 21903408 11332752 21903158 21903179 59081897 438096 1094 21902756 49873874 12315498 101751431 59869332 9989730 101750548 101162055 59869331 59869334 25239957 7057976 10103663 40467899 7076074 21872888 40467900 40467898
Mcule MCULE-8467892216 MCULE-9138847690 MCULE-1768967414 MCULE-5188930606 MCULE-9741453604 MCULE-5324189893 MCULE-9666987410 MCULE-2599314177 MCULE-1078524667 MCULE-5029345256
NMRShiftDB 20096803
ACToR 138-59-0 96322-25-7
MolPort MolPort-002-507-279 MolPort-016-633-340 MolPort-006-328-697
Nikkaji J3.267K J875.538H J793.784I J691.062I J870.914I J156.705E J23.532F J2.218.118A J2.979.440E J1.945.206I J1.943.278E J1.697.437D
BindingDB 50281998
EPA CompTox Dashboard DTXSID4032039
Metabolights MTBLC16119 MTBLC132329 MTBLC36208
Brenda 9270 42735 199524 352 213315 213314
Rhea 36208
ChemicalBook CB2293550

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