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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 CHEMBL8739 CHEMBL3137327 CHEMBL3122087 CHEMBL3137327 CHEMBL3560296
DrugBank DB00132
PDBe LNL
Guide to Pharmacology 1049
KEGG Ligand C06427
ChEBI 27432 92583 32387
ZINC ZINC000003802189 ZINC000013508538 ZINC000033822146 ZINC000013508536 ZINC000003870057 ZINC000013508540
eMolecules 524832 561341 36758683
IBM Patent System 92690B121D4489ACC7941877175960EE FA382C647A032D6CCF128F693CF0AEC1
FDA SRS 0RBV727H71 I5OYY436YI PO45E3L8YU
SureChEMBL SCHEMBL8151016 SCHEMBL109539 SCHEMBL4600233 SCHEMBL105729 SCHEMBL859253 SCHEMBL5874943 SCHEMBL4853105 SCHEMBL1173187 SCHEMBL8163456 SCHEMBL8150853 SCHEMBL5874942 SCHEMBL106701 SCHEMBL8917734 SCHEMBL1060541 SCHEMBL9790023 SCHEMBL1060540 SCHEMBL4853107 SCHEMBL8830583 SCHEMBL11591358 SCHEMBL109538 SCHEMBL6140641 SCHEMBL105730 SCHEMBL8149142 SCHEMBL14126286 SCHEMBL666389 SCHEMBL6072572 SCHEMBL11675366 SCHEMBL4630356 SCHEMBL1623139 SCHEMBL5874283 SCHEMBL104101 SCHEMBL11790085 SCHEMBL1255468 SCHEMBL17596457 SCHEMBL5875073 SCHEMBL14576897 SCHEMBL106610 SCHEMBL4409873 SCHEMBL5874948 SCHEMBL4600232 SCHEMBL8445376 SCHEMBL8157856 SCHEMBL5501548 SCHEMBL51037 SCHEMBL539075 SCHEMBL5875103 SCHEMBL8163459 SCHEMBL9300355 SCHEMBL516860 SCHEMBL106807 SCHEMBL666390 SCHEMBL4711954 SCHEMBL5875254 SCHEMBL5874107 SCHEMBL9013939 SCHEMBL15282 SCHEMBL106609 SCHEMBL1161160 SCHEMBL11136304 SCHEMBL446226 SCHEMBL4917820 SCHEMBL4409877 SCHEMBL9790027 SCHEMBL5874647 SCHEMBL2928199 SCHEMBL106808 SCHEMBL6937944 SCHEMBL4630398 SCHEMBL51036 SCHEMBL7906623 SCHEMBL7641869 SCHEMBL8164152 SCHEMBL4921341 SCHEMBL4324027 SCHEMBL3030367 SCHEMBL8162870 SCHEMBL11341583 SCHEMBL104457 SCHEMBL12470710 SCHEMBL11790080 SCHEMBL8149139 SCHEMBL11591355 SCHEMBL4921337 SCHEMBL16115069 SCHEMBL4631631 SCHEMBL11136301 SCHEMBL16915309 SCHEMBL4402705 SCHEMBL539074 SCHEMBL14716265 SCHEMBL5051335 SCHEMBL5874565 SCHEMBL9465385 SCHEMBL5796292 SCHEMBL8155977 SCHEMBL6140642 SCHEMBL4631195 SCHEMBL1623943 SCHEMBL4917827 SCHEMBL1233415 SCHEMBL3048603 SCHEMBL6908141 SCHEMBL7906624 SCHEMBL1173186 SCHEMBL104456 SCHEMBL5015620 SCHEMBL5875060 SCHEMBL4921339 SCHEMBL11594359 SCHEMBL8155981 SCHEMBL5875312 SCHEMBL1759182 SCHEMBL446227 SCHEMBL5501544 SCHEMBL6941891 SCHEMBL6621836 SCHEMBL5534406 SCHEMBL5797787 SCHEMBL1623896 SCHEMBL106700 SCHEMBL4918659 SCHEMBL4592413 SCHEMBL10939553 SCHEMBL5874531 SCHEMBL1976608 SCHEMBL1182232 SCHEMBL6841411 SCHEMBL447440 SCHEMBL2410422 SCHEMBL5874559 SCHEMBL8917743 SCHEMBL9754411 SCHEMBL5874550 SCHEMBL4631157 SCHEMBL6129872 SCHEMBL5875425 SCHEMBL5874526 SCHEMBL5875203 SCHEMBL4918664 SCHEMBL108360 SCHEMBL8151012 SCHEMBL10941085 SCHEMBL11257954 SCHEMBL5874954 SCHEMBL447439 SCHEMBL2410425 SCHEMBL5494895 SCHEMBL5874104 SCHEMBL858658 SCHEMBL5483556 SCHEMBL14126286 SCHEMBL7825440 SCHEMBL12903692 SCHEMBL11207817 SCHEMBL11583312 SCHEMBL605348 SCHEMBL46586 SCHEMBL375533 SCHEMBL3650954 SCHEMBL15469202 SCHEMBL1331592 SCHEMBL2057150 SCHEMBL15469126 SCHEMBL17077994 SCHEMBL2057151 SCHEMBL17077995
PharmGKB PA449384
Human Metabolome Database HMDB0001388 HMDB0030964
PubChem: Thomson Pharma 14848893 14910449 14750830 163448519 14939248 14910845 16335111 53780898 134966681 14751734 14939298 14913219 111323640 57297462 14939248 14939298 85179426 14795565 123047617 160640671 160639788 160639789 160640652 123074380
PubChem 88257956 88255535 87737776 88516289 87067504 44146081 87167693 87066918 88255555 87194152 87904167 44147585 87904068 87456311 11250451 87665529 87067104 87697644 87067082 66931478 87737775 87066919 87704084 87904203 89373181 87067503 86618983 56842239 89253166 88255244 118950315 44154158 76322221 69594186 118856793 88371803 87696365 87218238 69594041 87066664 87214907 87665530 44153161 88301335 92038114 88257957 87697643 87904168 87904214 87845308 88256881 88442922 87903928 87067130 9963463 87139166 9937654 87717011 91820710 88400052 87904246 87122643 71477892 20836133 87067131 90476785 129726691 88730284 131885965 9937272 66926355 90470380 87748675 23665889 5280934 87061495 88219478 14178424 69003358 88178319 87704098 91618114 69654032 88467248 87287815 44146801 87770041 87904041 56837191 68279213 87704269 88730283 89413917 92033024 86618982 87845307 9963510 92042727 92041226 118239215 87664487 87122642 86618984 88764933 118856468 87704212 66931477 23676667 87948662 88219479 87841659 87471207 88060488 87904258 88256518 117605103 88255243 88833921 87748674 69569278 88803867 87904201 88256517 44147456 87748261 87851085 88695060 50904999 87904029 88018824 90477789 20839411 87892787 69943305 87904038 87384492 88257863 87468498 87139165 24896572 88050113 87108852 87318881 66934319 87748259 23688489 87904284 88255554 88695330 87704202 87904026 87067369 87904238 9940017 87903927 87167638 69594097 92038377 88510804 87108851 69594189 87844015 87384493 88750552 25189637 70199289 74934165 129853298 5312501 44135858 118856793 53427352 89253166 76322221 445640 88801875 22645987 57371039 44153161 9963463 5312499 23679909 90476785 90470380 74085397 88741992 5312503 5312502 5282822 74934125 101602961 74933836 101599592 860 118856468 23679875 74935522 5312504 6365309 5312500 53437915 44147394 90477789 9963510 53436736 53427351 87552029 70674793 129773991 102602067 71749794 70675602 52912203 117064405 101947580 12359003 129848552 70675588 70674794 132426821 101947581 118366622 5461005 12359005 90937457 53778543 118366623 71309393 12359006 118797069 87329441 25245675 5991656 4028869
Mcule MCULE-8042162865
LINCS LSM-42939
ACToR 22333-90-0 94138-91-7 85938-44-9 94386-60-4 94349-27-6 94349-25-4 38660-45-6 95873-60-2 85392-75-2 21661-10-9 21661-13-2 21661-11-0 85938-44-9 21661-09-6 21661-12-1 463-40-1 1955-33-5 21661-08-5 69029-30-7 28290-79-1
Recon lnlnca
MolPort MolPort-003-937-817 MolPort-001-780-231 MolPort-006-113-817 MolPort-044-183-610 MolPort-044-183-556
Nikkaji J5.773H J200.313I J310.439G J426.762A J399.393K J527.905D J426.763J J694.843J J368.353B J317.509J J464.118C J388.255A J319.821I J694.842A J399.190C J17.685K J199.777G J2.125.145C J962.664F J962.666B J2.615.210K J2.607.808C
BindingDB 50240347 50448436
EPA CompTox Dashboard DTXSID7025506 DTXSID7075058 DTXSID20857932
LipidMaps LMFA01030152 LMFA01030350 LMFA01030348 LMFA01030352 LMFA01030349 LMFA01030153 LMFA01030353 LMFA01030351
DrugCentral 4618
Metabolights MTBLC27432 MTBLC32387
Brenda 6976 1413 66964 43935 101867 42607 5572 90146 2620 4329 56444 115971
Rhea 32387

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