About: 2-methoxyestrone 3-O-(beta-D-glucuronide)(1-)

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About: 2-methoxyestrone 3-O-(beta-D-glucuronide)(1-) Goto Sponge NotDistinct Permalink

An Entity of Type : wikibase:Item, within Data Space : wikidata.demo.openlinksw.com associated with source document(s)

anion

Attributes	Values
rdf:type	Item
description	anion (en) аніон (uk)
rdfs:label	2-methoxyestrone 3-O-(beta-D-glucuronide)(1-) (en)
skos:prefLabel	2-methoxyestrone 3-O-(beta-D-glucuronide)(1-) (en)
name	2-methoxyestrone 3-O-(beta-D-glucuronide)(1-) (en)
isomeric SMILES	wds:Q74411278-CE1752D9-8CE0-4874-8C8C-7B0BB8DDF70E
isomeric SMILES	C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=C(C=C34)OC)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)[O-])O)O)O
instance of	wds:Q74411278-F7EB09E2-0119-4EDC-88CA-9C272C82012F
instance of	type of chemical entity
subclass of	wds:Q74411278-6B45F5C4-6E5D-4DCA-90BE-1F2560972D09 wds:Q74411278-B13E1D0D-DC47-4C87-8C01-50D792E8A088
subclass of	organic anion monocarboxylic acid anion
UniChem compound ID	wds:Q74411278-1ABD5BAB-D358-478A-8651-5F53CE5E3E63
canonical SMILES	wds:Q74411278-DA3E68DF-4D42-4480-A583-FA837DE0AF66
InChI	wds:Q74411278-169EC928-EC4C-49C9-85C6-BAA99D7B130C
InChIKey	wds:Q74411278-3F16D975-8F82-43A5-96AF-10C190FAB740
chemical formula	wds:Q74411278-8EDCEC6E-865A-4684-A7F2-7C55FA9A92A4
PubChem CID	wds:Q74411278-CAF552DD-8275-44EB-8A5D-D4E33B800A2C
ChEBI ID	wds:Q74411278-8630B8ED-4D5F-4B99-A082-956D2BFA2577
PubChem CID	http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID129011098
ChEBI ID	http://purl.obolibrary.org/obo/CHEBI_136971
UniChem compound ID	156263306
canonical SMILES	COc1cc2c(cc1OC1OC(C(=O)[O-])C(O)C(O)C1O)CCC1C2CCC2(C)C(=O)CCC12
InChI	InChI=1S/C25H32O9/c1-25-8-7-12-13(15(25)5-6-18(25)26)4-3-11-9-17(16(32-2)10-14(11)12)33-24-21(29)19(27)20(28)22(34-24)23(30)31/h9-10,12-13,15,19-22,24,27-29H,3-8H2,1-2H3,(H,30,31)/p-1/t12-,13+,15-,19-,20-,21+,22-,24+,25-/m0/s1
InChIKey	NZTHZDNDYACBSX-FJNWEKAQSA-M
chemical formula	C₂₅H₃₁O₉⁻
PubChem CID	129011098
ChEBI ID	136971
mass	wds:Q74411278-FF84BE21-9072-45F5-B18C-C5F6699903F9
mass	475.19735615190984 (xsd:decimal)
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q74411278
is main subject of	Specificity and regioselectivity of the conjugation of estradiol, estrone, and their catecholestrogen and methoxyestrogen metabolites by human uridine diphospho-glucuronosyltransferases expressed in endometrium.
is main subject of	wds:Q40506465-6C02C309-0B1F-4E03-9906-A35C88404D66

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