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