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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 SCHEMBL7823130 SCHEMBL8727215 SCHEMBL11867584 SCHEMBL1736034 SCHEMBL4587443 SCHEMBL9188674 SCHEMBL8386153 SCHEMBL11169111 SCHEMBL17812451 SCHEMBL11685185 SCHEMBL20528087 SCHEMBL6561231 SCHEMBL10942966 SCHEMBL10825073 SCHEMBL4612756 SCHEMBL7260297 SCHEMBL10745795 SCHEMBL20448526 SCHEMBL11685179 SCHEMBL9192238 SCHEMBL17812737 SCHEMBL6936529 SCHEMBL6132115 SCHEMBL17812600 SCHEMBL9189517 SCHEMBL17812634 SCHEMBL8680838 SCHEMBL1876689 SCHEMBL3989127 SCHEMBL4217886 SCHEMBL10745786 SCHEMBL6138833 SCHEMBL6380244 SCHEMBL8386152 SCHEMBL19410924 SCHEMBL11661839 SCHEMBL8727213 SCHEMBL4217887 SCHEMBL10595498 SCHEMBL5460903 SCHEMBL5227385 SCHEMBL5689538 SCHEMBL17812505 SCHEMBL1578994 SCHEMBL11867588 SCHEMBL7629156 SCHEMBL535023 SCHEMBL2468644 SCHEMBL6539 SCHEMBL7629162 SCHEMBL17812706 SCHEMBL20421461 SCHEMBL8386155 SCHEMBL8159006 SCHEMBL9016063
Human Metabolome Database HMDB0002212
PubChem: Thomson Pharma 92756511 87352335 87352119 50138754 92756512 56267700 15272314 16687529 87352915
PubChem 129654872 57348602 22157914 101318028 88817802 134687259 45274122 88011175 44152372 129655554 70198606 71300572 88290669 88735922 121387831 44148466 88845063 20841840 101645670 121387879 129723816 12802136 24882991 101645764 88345776 131888131 6451429 129671479 101318027 88406706 121387997 101318037 101318036 121387968 88065499 44602776 121388094 6453739 57453455 44602574 21406084 88660427 88120686 87947065 131876205 6453506 90684420 129771951 101318031 15178345 24969556 88695657 88674654 129655994 23684585 129670640 129722409 57356746 129651747 23668526 131964201 71300571 21489706 71300570 19843889 101318032 129651202 44135768 129760012 129628454 101109868 87636205 101385253 44151821 101318030 88400487 44153875 44603342 57347369 101645652 44149354 168196 101971977 88813194 129712335 88355014 101696784 71711709 101318038 20976837 88290670 100922213 88175709 129725297 10467 87392553 45274123 101318035 11585158 101598094 129806136 121388064 101318034 101318033 3024183 102117235 20165411 87606086 87983622 44146786 101043454 23663653 87262031 101598095 87798139 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 24687-57-8 99116-28-6 200211-60-5 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 J181.636E J205.237G J286.378B J181.634I J537.520G J537.701C J110.143I J1.539.500A 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 DTXSID30223109 DTXSID50206217 DTXSID50207784 DTXSID40199260 DTXSID1060134 DTXSID00157644 DTXSID20243957 DTXSID00222149 DTXSID1072002 DTXSID70241327 DTXSID90241329 DTXSID10171018 DTXSID70721452
LipidMaps LMFA01010020 LMFA01010049
Metabolights MTBLC28822 MTBLC32360
Brenda 8315 52533 164215 13148 165138 46208
Rhea 32360
ChemicalBook CB8361169

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