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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 CHEMBL1200547 CHEMBL1098659 CHEMBL1231821 CHEMBL19429 CHEMBL2105800 CHEMBL2106489 CHEMBL1232306
DrugBank DB09145 DB01378
PDBe OH HOH O CL MG DOD D3O
KEGG Ligand C01328 C00001 C00698 C01327 C00305
ChEBI 86355 15377 29412 16234 17883 17996 18420 29374 33806 41981 29375 33811 33813
eMolecules 479530 491712 474765 712466 483017 27515055 6877885 514362
Atlas water Distilled Water water (vehicle) chloride
FDA SRS 9159UV381P 059QF0KO0R Q32ZN48698 QTT17582CB T6V3LHY838 63M8RYN44N J65BV539M3 7QV8F8BYNJ 3040SK5NKV
SureChEMBL SCHEMBL50183 SCHEMBL624 SCHEMBL170031 SCHEMBL272 SCHEMBL250520 SCHEMBL1592101 SCHEMBL318690 SCHEMBL16776762 SCHEMBL17699317 SCHEMBL16738352 SCHEMBL887582 SCHEMBL15232178 SCHEMBL57023 SCHEMBL175876 SCHEMBL5794584 SCHEMBL18919458 SCHEMBL15404296 SCHEMBL12727859 SCHEMBL19639746 SCHEMBL5796368 SCHEMBL12609287 SCHEMBL15557231 SCHEMBL1332355 SCHEMBL14169152 SCHEMBL11794417 SCHEMBL57022 SCHEMBL8846118 SCHEMBL15796844 SCHEMBL13667582 SCHEMBL95344 SCHEMBL6664477 SCHEMBL821079
PharmGKB PA164712884
Human Metabolome Database HMDB0001039 HMDB0002111 HMDB0000492 HMDB0002306 HMDB0000547
PubChem: Thomson Pharma 16532434 15194090 14747257 14793611 15170294 15194104 15119557 15296831 16644800 14747259 15194092 15242794 16898783 15119547 15218568 16410308 14842770 16213724 16213723 15213201 16031774 15320966 57300015 15320969 15339044 14842771
PubChem 15300946 168060 962 961 22247451 44144404 21832023 123332 312 22557802 22557862 313 18348331 22991709 21924747 888 10214376 104752 12676391 10129877 16048639 24602 58422532 72700706 10197601 105142 139505 59049839 139859 5460604 12161503 57937911 58609138 76071083 6914120 86301163 119030407 522634 10313040 15763865 86301162 9877332 25191441 105062 92026896 10313043 122198780 123256 167013 92026172 167304 59069996 101534066 44150317 10313041 71587901
Mcule MCULE-9788063146 MCULE-7728164114 MCULE-3504782871
NMRShiftDB 20188012
ACToR 22756-14-5 3352-57-6 14337-01-0 14280-30-9 7732-18-5 17778-80-2 13670-17-2 56583-62-1 13968-08-6 558440-22-5 14314-42-2 16887-00-6 113962-65-5 7647-01-0 22537-22-0 24286-21-3 13968-48-4 13982-43-9 14940-65-9 14940-63-7 156428-50-1 7789-20-0 13587-54-7 14797-71-8 7698-05-7 13981-43-6 14158-34-0 13981-72-1 15585-26-9
Recon h2o oh1 cl
MolPort MolPort-003-926-695 MolPort-003-930-167
Nikkaji J209.359F J2.261.720F J43.587B J605.528A J202.845J J3.376.707B J3.745A J2.328.860E J135.236I J298.851H J643.937C J298.852F J135.237G J95.184F J135.235K J643.936E J95.232J J298.931J J298.932H
BindingDB 26979
EPA CompTox Dashboard DTXSID6026296 DTXSID8074281 DTXSID2020711 DTXSID6043969 DTXSID4051243 DTXSID50164262 DTXSID40242109
DrugCentral 4568
Metabolights MTBLC29412 MTBLC15377 MTBLC16234 MTBLC17883 MTBLC17996 MTBLC29374 MTBLC33806 MTBLC41981 MTBLC29375 MTBLC33811 MTBLC33813
Brenda 1 214166 32651 3836 100701 109051 111979 32180 141 32179 93648 298 768 5185 6551 6 32293 32294 29912
Rhea 15377 17996 18420

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