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ChEMBL

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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 UIERETOOQGIECD-ONEGZZNKSA-N

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



Source Identical Component s i p si ip sp sip
ChEMBL CHEMBL52416 CHEMBL55941
PDBe MB8
Guide to Pharmacology 6499
KEGG Ligand C08279
ChEBI 9592 36431 36432
ZINC ZINC000000897443 ZINC000000897447
eMolecules 532439 929911 27524257
IBM Patent System 9D60C782486904A3FA5D1C3BC7DAB4E6 76DD152A1EE21721802DA93D93CD973B 21A1886D477D5C2DF096E1BD65C1407A F99D217CACA10980F6DC62292040C82D
FDA SRS I5792N03HC 54U4ZPB36F
SureChEMBL SCHEMBL15042 SCHEMBL133954
Human Metabolome Database HMDB0029608 HMDB0001470 HMDB0132474
PubChem: Thomson Pharma 14769262 14818100
PubChem 125468 643915 6656 45040533 134988409 6971144 57369424 126456223 22858111 20982153
Mcule MCULE-2116066534 MCULE-2390677360
NMRShiftDB 20031164 20026361
ACToR 80-59-1 13201-46-2 565-63-9
MolPort MolPort-001-766-679 MolPort-006-111-892 MolPort-006-120-166
Nikkaji J100.741F J4.252H J6.512I
EPA CompTox Dashboard DTXSID80883257 DTXSID80897430 DTXSID50861643
LipidMaps LMFA01020030 LMFA01020029
Metabolights MTBLC9592 MTBLC36431 MTBLC36432
Brenda 32470 49576 145177 160453 32516 150082 90304 108130 143493 95770 49453
ChemicalBook CB4199986 CB1389096

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