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The Drug-Drug Interactions Ontology
Last uploaded:
February 11, 2016
| Id | http://purl.obolibrary.org/obo/dinto_DB07596
http://purl.obolibrary.org/obo/dinto_DB07596
|
|---|---|
| Preferred Name | (17beta)-17-(cyanomethyl)-2-methoxyestra-1(10),2,4-trien-3-yl sulfamate |
| Synonyms |
(1S,10S,11S,14R,15R)-14-(cyanomethyl)-4-methoxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,4,6-trien-5-yl sulfamate
C21H28N2O4S
|
| Type | http://www.w3.org/2002/07/owl#Class |
All Properties
| prefLabel | (17beta)-17-(cyanomethyl)-2-methoxyestra-1(10),2,4-trien-3-yl sulfamate
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|---|---|
| label | (17beta)-17-(cyanomethyl)-2-methoxyestra-1(10),2,4-trien-3-yl sulfamate
|
| type | |
| InChIKey | InChIKey=NTSPHKOMJMBWOU-NNKXXINSSA-N
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| Synonym | (1S,10S,11S,14R,15R)-14-(cyanomethyl)-4-methoxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,4,6-trien-5-yl sulfamate
C21H28N2O4S
|
| xref |
ChemSpider:9363982
PubChem Compound:11188898
PubChem Substance:99444067
PDB:CTF
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| prefixIRI | obo2:dinto_DB07596
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| related with | |
| SMILES | [H][C@]1(CC#N)CC[C@@]2([H])[C@]3([H])CCC4=CC(OS(N)(=O)=O)=C(OC)C=C4[C@@]3([H])CC[C@]12C
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| InChI | InChI=1S/C21H28N2O4S/c1-21-9-7-15-16(18(21)6-4-14(21)8-10-22)5-3-13-11-20(27-28(23,24)25)19(26-2)12-17(13)15/h11-12,14-16,18H,3-9H2,1-2H3,(H2,23,24,25)/t14-,15+,16-,18+,21-/m1/s1
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| subClassOf |
| Delete | Subject | Author | Type | Created |
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