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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 RPAYJVFLNVKVRS-UHFFFAOYSA-N

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



Source Identical Component s i p si ip sp sip
ChEMBL CHEMBL1076681
PDBe NA
KEGG Ligand C01330
ChEBI 29101
eMolecules 479185 519280 882962 882721 882962 489522 6876838
FDA SRS LYR4M0NH37 18HB6B1L37 UR0T0B24E9
SureChEMBL SCHEMBL2402355 SCHEMBL27657 SCHEMBL157767 SCHEMBL8333713 SCHEMBL2402355 SCHEMBL36842
Human Metabolome Database HMDB0000588
PubChem: Thomson Pharma 15119549
PubChem 6432057 24846069 923 11954323 86341921 21863552 20429074 91668118 121233518 132278650 22461840 86341921 91886310 90478374 15361794 132278650 91932232 91886309 71310090 129776520 4321566 71310091 16211213 121233518 56846345 91886311 129628437 16218907 15764247 129822294 56845888 11954323 91668118 71587009 71587008
Mcule MCULE-3833394421
ACToR 12322-85-9 1330-43-4 12179-04-3 1303-96-4 17341-25-2 12007-60-2 1303-96-4 12179-04-3
Recon na1
MolPort MolPort-046-069-029 MolPort-003-928-059
Nikkaji J1.085.483K
BindingDB 50098589 50344897
EPA CompTox Dashboard DTXSID2034388 DTXSID8037671 DTXSID7034389 DTXSID20746059 DTXSID7034389 DTXSID10168327 DTXSID70168328
Metabolights MTBLC29101
Brenda 208283 48043 208282 135834 202693 208285 59 202694 202160 208284 1602 48042 2375
Rhea 29101

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