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UniChem Connectivity Layer Cross References

Legend

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

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



Source Identical Component s i p si ip sp sip
ChEMBL CHEMBL3122087 CHEMBL8739 CHEMBL3137327 CHEMBL3137327 CHEMBL3560296
DrugBank DB00132
PDBe LNL
Guide to Pharmacology 1049
KEGG Ligand C06427
ChEBI 27432 92583 32387
ZINC ZINC000003802189 ZINC000013508536 ZINC000003870057 ZINC000013508540 ZINC000013508538 ZINC000033822146
eMolecules 524832 561341 36758683
IBM Patent System 92690B121D4489ACC7941877175960EE FA382C647A032D6CCF128F693CF0AEC1
FDA SRS 0RBV727H71 I5OYY436YI PO45E3L8YU
SureChEMBL SCHEMBL446226 SCHEMBL6129872 SCHEMBL106808 SCHEMBL4631157 SCHEMBL5874526 SCHEMBL5875203 SCHEMBL1161160 SCHEMBL11136304 SCHEMBL5875425 SCHEMBL8151012 SCHEMBL5874104 SCHEMBL8164152 SCHEMBL858658 SCHEMBL10941085 SCHEMBL4324027 SCHEMBL6937944 SCHEMBL4921341 SCHEMBL108360 SCHEMBL4917820 SCHEMBL5051335 SCHEMBL14716265 SCHEMBL9790027 SCHEMBL4409873 SCHEMBL106610 SCHEMBL106701 SCHEMBL5874942 SCHEMBL8917734 SCHEMBL5874647 SCHEMBL16915309 SCHEMBL446227 SCHEMBL5501544 SCHEMBL4918664 SCHEMBL4409877 SCHEMBL539074 SCHEMBL2928199 SCHEMBL4402705 SCHEMBL7641869 SCHEMBL5494895 SCHEMBL4592413 SCHEMBL9013939 SCHEMBL5875254 SCHEMBL4918659 SCHEMBL106700 SCHEMBL8163459 SCHEMBL9300355 SCHEMBL5874107 SCHEMBL4711954 SCHEMBL1623896 SCHEMBL106807 SCHEMBL666390 SCHEMBL5534406 SCHEMBL516860 SCHEMBL6621836 SCHEMBL5797787 SCHEMBL6941891 SCHEMBL9754411 SCHEMBL8445376 SCHEMBL106609 SCHEMBL15282 SCHEMBL5874954 SCHEMBL7906623 SCHEMBL11257954 SCHEMBL4630398 SCHEMBL2410425 SCHEMBL51036 SCHEMBL51037 SCHEMBL447439 SCHEMBL8157856 SCHEMBL5874948 SCHEMBL4600232 SCHEMBL5875103 SCHEMBL5501548 SCHEMBL5874550 SCHEMBL539075 SCHEMBL1060541 SCHEMBL9465385 SCHEMBL109538 SCHEMBL6140641 SCHEMBL105730 SCHEMBL4631195 SCHEMBL8149142 SCHEMBL6140642 SCHEMBL11675366 SCHEMBL14126286 SCHEMBL1623943 SCHEMBL1623139 SCHEMBL104456 SCHEMBL5875312 SCHEMBL17596457 SCHEMBL14576897 SCHEMBL5875073 SCHEMBL4630356 SCHEMBL1173186 SCHEMBL20395063 SCHEMBL6072572 SCHEMBL2410422 SCHEMBL447440 SCHEMBL1976608 SCHEMBL8917743 SCHEMBL5874559 SCHEMBL10939553 SCHEMBL3048603 SCHEMBL5874531 SCHEMBL6908141 SCHEMBL1182232 SCHEMBL1233415 SCHEMBL666389 SCHEMBL4917827 SCHEMBL3030367 SCHEMBL8162870 SCHEMBL6841411 SCHEMBL7906624 SCHEMBL1255468 SCHEMBL5874283 SCHEMBL4600233 SCHEMBL8163456 SCHEMBL11341583 SCHEMBL109539 SCHEMBL11790080 SCHEMBL8151016 SCHEMBL16115069 SCHEMBL8149139 SCHEMBL8150853 SCHEMBL104457 SCHEMBL4853107 SCHEMBL9790023 SCHEMBL5874565 SCHEMBL4631631 SCHEMBL11136301 SCHEMBL1060540 SCHEMBL12470710 SCHEMBL4921337 SCHEMBL105729 SCHEMBL11594359 SCHEMBL8830583 SCHEMBL5015620 SCHEMBL8155981 SCHEMBL11591358 SCHEMBL1759182 SCHEMBL104101 SCHEMBL11790085 SCHEMBL5874943 SCHEMBL5875060 SCHEMBL5796292 SCHEMBL11591355 SCHEMBL859253 SCHEMBL1173187 SCHEMBL8155977 SCHEMBL4921339 SCHEMBL4853105 SCHEMBL5483556 SCHEMBL7825440 SCHEMBL12903692 SCHEMBL375533 SCHEMBL46586 SCHEMBL605348 SCHEMBL11583312 SCHEMBL11207817 SCHEMBL14126286 SCHEMBL3650954 SCHEMBL15469202 SCHEMBL1331592 SCHEMBL2057150 SCHEMBL15469126 SCHEMBL17077994 SCHEMBL17077995 SCHEMBL20567564 SCHEMBL2057151
PharmGKB PA449384
Human Metabolome Database HMDB0001388 HMDB0030964
PubChem: Thomson Pharma 14848893 14913219 14750830 163448519 14939248 14910845 14910449 14939298 53780898 111323640 14751734 134966681 16335111 57297462 14939248 14939298 85179426 14795565 123047617 160640671 160639789 160640652 160639788 123074380
PubChem 87704202 129726691 20836133 87067131 133082064 87904026 66926355 9940017 88730284 87904284 88255554 87903927 87167638 88178319 88695330 69003358 90476785 90470380 87748675 87904238 87067369 118239215 87456311 87664487 134687535 44147585 87904068 11250451 89413917 92033024 87122642 87214907 44147456 87748261 9937272 9963510 131885965 87665530 86618982 87845307 87844015 87704098 88400052 20839411 87904246 87717011 91820710 87748259 88442922 87903928 23688489 87892787 90477789 9963463 87139166 87851085 87067130 134687536 69943305 88018824 9937654 88257957 88510804 5280934 69594189 87061495 87108851 23665889 88219478 87384493 14178424 88750552 69594097 71477892 87697643 44153161 88301335 87904168 88256881 87122643 87845308 87904214 87770041 87665529 87704212 87067503 134687638 87066919 86618983 88255244 87948662 89253166 118856468 87704084 66931477 44154158 87218238 69594041 118950315 87904258 87904203 89373181 23676667 135236424 56842239 87904038 87384492 87108852 87318881 87904029 87471207 87841659 88695060 50904999 88060488 66934319 87139165 69654032 91618114 87468498 88257863 88050113 24896572 88219479 87066664 87696365 88730283 87704269 87737776 56837191 68279213 86618984 88257956 88764933 88255535 88516289 87904041 44146801 87697644 87067082 87904167 87067104 88467248 87194152 87287815 87067504 88833921 69594186 87904201 118856793 87737775 76322221 88371803 88256518 134687460 88803867 88256517 66931478 117605103 88255243 44146081 88255555 87748674 69569278 87167693 87066918 25189637 90476785 90470380 23679909 88801875 445640 5312501 5312504 9963510 5312499 53436736 90477789 44147394 9963463 53427351 44153161 22645987 57371039 129853298 70199289 88741992 53427352 89253166 5312503 53437915 860 6365309 5312500 118856468 23679875 5282822 44135858 101602961 5312502 118856793 101599592 76322221 87552029 102602067 70675588 70674793 70674794 71749794 70675602 52912203 12359003 129773991 132426821 101947581 101947580 129848552 132935946 117064405 118366622 5461005 71309393 118366623 12359005 135385002 118797069 90937457 12359006 53778543 87329441 25245675 5991656 4028869
Mcule MCULE-8042162865
LINCS LSM-42939
ACToR 94138-91-7 85938-44-9 38660-45-6 22333-90-0 94349-25-4 94349-27-6 85392-75-2 94386-60-4 95873-60-2 21661-11-0 21661-13-2 85938-44-9 69029-30-7 21661-08-5 21661-10-9 463-40-1 1955-33-5 28290-79-1 21661-09-6 21661-12-1
Recon lnlnca
MolPort MolPort-003-937-817 MolPort-044-727-658 MolPort-001-780-231 MolPort-006-113-817 MolPort-044-183-610 MolPort-044-183-556
Nikkaji J5.773H J200.313I J310.439G J399.393K J317.509J J426.763J J426.762A J694.843J J368.353B J464.118C J17.685K J319.821I J2.125.145C J388.255A J694.842A J199.777G J399.190C J527.905D J962.664F J962.666B J2.615.210K J2.607.808C
BindingDB 50240347 50448436
EPA CompTox Dashboard DTXSID7025506 DTXSID7075058 DTXSID20857932
LipidMaps LMFA01030152 LMFA01030353 LMFA01030348 LMFA01030350 LMFA01030153 LMFA01030352 LMFA01030351 LMFA01030349
DrugCentral 4618
Metabolights MTBLC27432 MTBLC32387
Brenda 101867 32469 4329 2620 90146 1413 66964 5572 6976 43935 42607 115971 56444
Rhea 32387
ChemicalBook CB2112323

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