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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 ROSDSFDQCJNGOL-UHFFFAOYSA-N

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



Source Identical Component s i p si ip sp sip
ChEMBL CHEMBL120433
PDBe DMN
Guide to Pharmacology 5177
KEGG Ligand C00543
ChEBI 17170 58040
eMolecules 475717
IBM Patent System 6F461A5062FB160114F8CCF4F383FF04 E664748D821B01FB51891678F1016785 1F85BC1D6106FBD7C3C2D07EF9D1FB69 741DBAC3B7933A3A1E09B0E408401879 4170A8439F5D0E495B825A651064597D A371BC09F691204A2C0B56656B2ADDCF D0C69C4E9F13712FE1D34C3B1CD46A8F B963CD42B77D884BBC64D1E52EF9ECC3 FFE0CC78EFE28B0BC8B1CDDD17D1C585
FDA SRS ARQ8157E0Q
SureChEMBL SCHEMBL1030 SCHEMBL4632914 SCHEMBL1624516 SCHEMBL765872 SCHEMBL1330347 SCHEMBL13695986 SCHEMBL1330452 SCHEMBL12415750 SCHEMBL12546734 SCHEMBL3463837 SCHEMBL1073932 SCHEMBL18916914 SCHEMBL8071298 SCHEMBL8071363
Human Metabolome Database HMDB0000087
PubChem: Thomson Pharma 15218587 125318327
PubChem 674 11819887 12199021 57097881 59119721 71309073 101594085 16217387 12199008 57734413 12199019 16213552 12199007 22789541 12199011 57857946 53390264 12199013 21454565 3614769 58012564 23266212 132567263
Mcule MCULE-2809467532
NMRShiftDB 10016918
ACToR 124-40-3
MolPort MolPort-001-783-813
Nikkaji J2.933E J1.943.801E J371.627I J291.231G J2.803.194G J1.089.604E J1.391.714K J135.777H J3.522.711C
BindingDB 50416497
EPA CompTox Dashboard DTXSID5024057 DTXSID60584356 DTXSID70473742
Metabolights MTBLC17170 MTBLC58040
Brenda 1680 86831 94998
Rhea 58040
ChemicalBook CB8852986

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