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ChEMBL Statistics
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UniChem Connectivity Layer Cross References

Legend

Letters 's', 'i' and 'p' describe how structures differ from structure with InChI Key MJMDTFNVECGTEM-UHFFFAOYSA-L

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



Source Identical Component s i p si ip sp sip
ChEMBL CHEMBL1231821 CHEMBL19429 CHEMBL1098659 CHEMBL2106489 CHEMBL1232306 CHEMBL2105800
DrugBank DB09145 DB01378
PDBe CL O OH HOH MG DOD D3O
KEGG Ligand C01327 C00698 C00001 C01328 C00305
ChEBI 86355 17883 17996 15377 16234 29412 18420 33806 33811 41981 29374 33813 29375
eMolecules 474765 491712 479530 712466 514362 483017 27515055 6877885
Atlas chloride water (vehicle) water Distilled Water
FDA SRS QTT17582CB Q32ZN48698 059QF0KO0R 9159UV381P T6V3LHY838 J65BV539M3 7QV8F8BYNJ 63M8RYN44N 3040SK5NKV
SureChEMBL SCHEMBL50183 SCHEMBL250520 SCHEMBL272 SCHEMBL624 SCHEMBL170031 SCHEMBL318690 SCHEMBL1592101 SCHEMBL95344 SCHEMBL6664477 SCHEMBL13667582 SCHEMBL821079 SCHEMBL12609287 SCHEMBL5794584 SCHEMBL18919458 SCHEMBL15557231 SCHEMBL175876 SCHEMBL5796368 SCHEMBL16776762 SCHEMBL57022 SCHEMBL17699317 SCHEMBL19874819 SCHEMBL16738352 SCHEMBL14169152 SCHEMBL15796844 SCHEMBL19946603 SCHEMBL15232178 SCHEMBL11794417 SCHEMBL12727859 SCHEMBL57023 SCHEMBL19639746 SCHEMBL15404296 SCHEMBL1332355 SCHEMBL8846118 SCHEMBL887582
PharmGKB PA164712884
Human Metabolome Database HMDB0002306 HMDB0000492 HMDB0002111 HMDB0001039 HMDB0000547
PubChem: Thomson Pharma 15119557 15194104 15170294 14747257 14793611 16532434 15194090 15296831 15320966 16031774 57300015 15339044 15320969 14842771 16644800 16898783 14747259 16213723 15119547 15242794 15213201 16410308 14842770 15194092 15218568 16213724
PubChem 168060 15300946 22557862 313 22557802 312 18348331 962 22247451 961 123332 21832023 21924747 22991709 888 44150317 105062 10313043 167013 15763865 101534066 10313041 25191441 522634 119030407 10313040 122198780 167304 86301162 123256 9877332 86301163 59069996 139859 58422532 6914120 5460604 139505 12676391 58609138 57937911 105142 24602 10214376 104752 59049839 10197601 76071083 12161503 72700706 16048639 10129877 71587901
Mcule MCULE-7728164114 MCULE-9788063146 MCULE-3504782871
NMRShiftDB 20188012
ACToR 22756-14-5 7647-01-0 16887-00-6 113962-65-5 17778-80-2 14314-42-2 13670-17-2 56583-62-1 7732-18-5 13968-08-6 14337-01-0 3352-57-6 14280-30-9 558440-22-5 22537-22-0 13981-72-1 13981-43-6 14158-34-0 15585-26-9 7698-05-7 24286-21-3 13982-43-9 14940-63-7 7789-20-0 13587-54-7 14940-65-9 14797-71-8 13968-48-4 156428-50-1
Recon cl h2o oh1
MolPort MolPort-001-783-702 MolPort-003-926-090 MolPort-023-223-127 MolPort-003-934-744 MolPort-003-926-695 MolPort-003-930-167
Nikkaji J3.745A J202.845J J3.376.707B J2.261.720F J43.587B J209.359F J605.528A J2.328.860E J95.232J J298.931J J298.932H J298.852F J135.236I J643.936E J643.937C J95.184F J298.851H J135.237G J135.235K
BindingDB 26979
EPA CompTox Dashboard DTXSID2020711 DTXSID6043969 DTXSID6026296 DTXSID8074281 DTXSID50164262 DTXSID4051243 DTXSID40242109
DrugCentral 4568
Metabolights MTBLC17883 MTBLC17996 MTBLC15377 MTBLC16234 MTBLC29412 MTBLC33806 MTBLC33811 MTBLC41981 MTBLC29374 MTBLC33813 MTBLC29375
Brenda 111979 768 32180 298 141 93648 32179 219461 1 32651 214166 100701 109051 3836 6 6551 32293 32294 5185 29912
Rhea 17996 15377 18420
ChemicalBook CB3736883 CB7334306

UniChem REST Service Call: https://www.ebi.ac.uk/unichem/rest/key_search/MJMDTFNVECGTEM-UHFFFAOYSA-L/0/0/4
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