ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

UniChem Connectivity Layer Cross References

Legend

Letters 's', 'i' and 'p' describe how structures differ from structure with InChI Key VKOBVWXKNCXXDE-UHFFFAOYSA-N

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



Source Identical Component s i p si ip sp sip
ChEMBL CHEMBL1173381
PDBe DCR
KEGG Ligand C06425
ChEBI 28822 32360
ZINC ZINC000006920376
eMolecules 478462 31263914 31263913
IBM Patent System 813F1E2F39CF16FF6BA4C40542EB1299
FDA SRS GIS6QAG7I1 PQB8MJD4RB W5OCW7511B
SureChEMBL SCHEMBL9058275 SCHEMBL20553598 SCHEMBL8727215 SCHEMBL11867584 SCHEMBL1736034 SCHEMBL4587443 SCHEMBL7823130 SCHEMBL9188674 SCHEMBL11685185 SCHEMBL11169111 SCHEMBL20528087 SCHEMBL6561231 SCHEMBL8386153 SCHEMBL10942966 SCHEMBL10825073 SCHEMBL4612756 SCHEMBL7260297 SCHEMBL10745795 SCHEMBL20448526 SCHEMBL11685179 SCHEMBL17812737 SCHEMBL9192238 SCHEMBL6936529 SCHEMBL6132115 SCHEMBL17812600 SCHEMBL9189517 SCHEMBL17812634 SCHEMBL17812451 SCHEMBL8680838 SCHEMBL3989127 SCHEMBL4217886 SCHEMBL10745786 SCHEMBL6138833 SCHEMBL5227385 SCHEMBL6380244 SCHEMBL8386152 SCHEMBL19410924 SCHEMBL11661839 SCHEMBL8727213 SCHEMBL4217887 SCHEMBL10595498 SCHEMBL5460903 SCHEMBL5689538 SCHEMBL17812706 SCHEMBL11867588 SCHEMBL17812505 SCHEMBL7629156 SCHEMBL535023 SCHEMBL1876689 SCHEMBL1578994 SCHEMBL2468644 SCHEMBL20421461 SCHEMBL7629162 SCHEMBL8386155 SCHEMBL8159006 SCHEMBL6539 SCHEMBL9016063
Human Metabolome Database HMDB0002212
PubChem: Thomson Pharma 92756511 87352335 87352119 50138754 92756512 56267700 15272314 16687529 87352915
PubChem 57348602 129654872 22157914 101318028 135351818 134687259 45274122 88011175 135373158 129655554 44152372 70198606 88290669 71300572 88817802 88735922 88845063 12802136 44148466 20841840 129723816 101645670 24882991 129671479 88345776 121387831 101645764 131888131 6451429 101318027 88406706 101318037 6453739 121387997 101318036 44602776 121387968 121388094 88120686 57453455 44602574 21406084 135283482 88660427 88065499 87947065 90684420 24969556 6453506 129771951 15178345 101318031 88695657 129722409 129655994 131876205 88674654 23684585 129670640 121387879 57356746 131964201 101109868 23668526 71300571 21489706 19843889 129628454 101318032 129760012 101696784 44135768 87636205 129651202 71300570 101385253 88400487 101645652 101318030 44153875 57347369 44603342 44149354 88355014 44151821 101971977 168196 88813194 129712335 71711709 87606086 20976837 10467 88290670 101318038 129725297 100922213 87392553 101598094 101318035 129651747 45274123 11585158 129806136 135260204 88175709 87983622 44146786 3024183 101318033 20165411 102117235 87798139 101598095 101318034 121388064 23663653 101043454 87262031 101318029 131869358 118855852 44256492 12254363 102044916 5461017
Mcule MCULE-2888473872
NMRShiftDB 10008805
ACToR 2636-14-8 14796-97-5 506-30-9 93028-35-4 57593-01-8 59025-08-0 51250-21-6 13257-34-6 14923-81-0 200211-60-5 99116-28-6 24687-57-8 69847-51-4 94266-33-8 18080-76-7 71889-57-1
Recon arach
MolPort MolPort-002-534-221 MolPort-006-120-195
Nikkaji J227.190G J1.116.123E J212.276F J181.631D J181.632B J537.756K J537.540A J285.477E J192.156H J382.719D J227.232F J181.635G J538.156H J2.779.971J J537.775G J537.738B J726.830K J110.141B J296.745F J261.671H J181.640C J181.641A J382.718F J181.639J J2.267.668G J382.716J J260.870G J1.539.500A J205.237G J286.378B J181.634I J537.520G J537.701C J110.143I J181.636E J1.718.435K J181.642J J2.607G J382.717H J623.355D J1.020.895E J181.638A J110.142K J181.637C J213.786K J181.633K J2.878.114H J2.076.079F
EPA CompTox Dashboard DTXSID30180960 DTXSID30241328 DTXSID1060134 DTXSID30223109 DTXSID50206217 DTXSID50207784 DTXSID40199260 DTXSID00157644 DTXSID90241329 DTXSID20243957 DTXSID00222149 DTXSID90884659 DTXSID1072002 DTXSID10171018 DTXSID70241327 DTXSID70721452
LipidMaps LMFA01010020 LMFA01010049
Metabolights MTBLC28822 MTBLC32360
Brenda 52533 165138 164215 8315 13148 46208
Rhea 32360
ChemicalBook CB8361169

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