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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 CHEMBL19429 CHEMBL1231821 CHEMBL2106489 CHEMBL1232306 CHEMBL2105800
DrugBank DB09145 DB01378
PDBe O HOH OH CL MG D3O DOD
KEGG Ligand C01328 C00001 C00698 C01327 C00305
ChEBI 86355 15377 16234 29412 17996 17883 18420 33806 33811 41981 33813 29375 29374
eMolecules 479530 491712 474765 712466 27515055 483017 6877885 514362
Atlas Distilled Water water (vehicle) water chloride
FDA SRS 9159UV381P 059QF0KO0R Q32ZN48698 QTT17582CB T6V3LHY838 63M8RYN44N J65BV539M3 7QV8F8BYNJ 3040SK5NKV
SureChEMBL SCHEMBL50183 SCHEMBL170031 SCHEMBL624 SCHEMBL250520 SCHEMBL272 SCHEMBL318690 SCHEMBL1592101 SCHEMBL5794584 SCHEMBL18919458 SCHEMBL15796844 SCHEMBL14169152 SCHEMBL12609287 SCHEMBL19639746 SCHEMBL5796368 SCHEMBL175876 SCHEMBL16738352 SCHEMBL19874819 SCHEMBL19946603 SCHEMBL15232178 SCHEMBL887582 SCHEMBL57022 SCHEMBL57023 SCHEMBL12727859 SCHEMBL17699317 SCHEMBL16776762 SCHEMBL8846118 SCHEMBL15404296 SCHEMBL1332355 SCHEMBL15557231 SCHEMBL11794417 SCHEMBL6664477 SCHEMBL821079 SCHEMBL13667582 SCHEMBL95344
PharmGKB PA164712884
Human Metabolome Database HMDB0001039 HMDB0002111 HMDB0000492 HMDB0002306 HMDB0000547
PubChem: Thomson Pharma 16532434 15170294 15194090 14747257 14793611 15194104 15119557 15296831 16213723 15194092 15242794 15119547 16898783 15213201 16410308 16644800 16213724 14747259 15218568 14842770 57300015 15339044 15320969 16031774 14842771 15320966
PubChem 168060 15300946 22247451 123332 21832023 962 961 44144404 22557802 18348331 313 22557862 312 22991709 21924747 888 12676391 72700706 10197601 58609138 10129877 139859 58422532 57937911 6914120 59049839 16048639 12161503 139505 10214376 104752 24602 105142 76071083 5460604 101534066 59069996 105062 92026896 15763865 122198780 123256 92026172 167013 10313040 167304 119030407 522634 86301163 10313041 9877332 10313043 86301162 44150317 25191441 71587901
Mcule MCULE-9788063146 MCULE-7728164114 MCULE-3504782871
NMRShiftDB 20188012
ACToR 22756-14-5 17778-80-2 3352-57-6 558440-22-5 56583-62-1 14337-01-0 7732-18-5 13670-17-2 14314-42-2 14280-30-9 13968-08-6 16887-00-6 113962-65-5 7647-01-0 22537-22-0 13968-48-4 24286-21-3 13982-43-9 13587-54-7 14940-63-7 156428-50-1 7789-20-0 14940-65-9 14797-71-8 13981-43-6 7698-05-7 15585-26-9 14158-34-0 13981-72-1
Recon h2o oh1 cl
MolPort MolPort-001-783-702 MolPort-003-930-167 MolPort-003-926-695 MolPort-003-934-744 MolPort-023-223-127
Nikkaji J2.261.720F J209.359F J43.587B J605.528A J3.745A J3.376.707B J202.845J J2.328.860E J643.937C J298.852F J643.936E J135.236I J135.235K J298.851H J95.184F J135.237G J298.932H J95.232J J298.931J
BindingDB 26979
EPA CompTox Dashboard DTXSID6026296 DTXSID8074281 DTXSID2020711 DTXSID6043969 DTXSID4051243 DTXSID50164262 DTXSID40242109
DrugCentral 4568
Metabolights MTBLC15377 MTBLC16234 MTBLC29412 MTBLC17996 MTBLC17883 MTBLC33806 MTBLC33811 MTBLC41981 MTBLC33813 MTBLC29375 MTBLC29374
Brenda 32651 1 100701 3836 214166 109051 111979 298 141 32179 93648 768 32180 6551 32294 5185 32293 6 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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