CHEBI:62852 - 6β-[N-(carboxymethylamino)carbonyl]methoxy-17β-estradiol

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ChEBI Name 6β-[N-(carboxymethylamino)carbonyl]methoxy-17β-estradiol ChEBI ID CHEBI:62852 ChEBI ASCII Name 6beta-[N-(carboxymethylamino)carbonyl]methoxy-17beta-estradiol Definition A steroid acid that consists of 17β-estradiol bearing an N-(carboxymethylamino)carbonylmethoxy at the 6β-position Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C22H29NO6 Net Charge 0 Average Mass 403.46880 Monoisotopic Mass 403.19949 InChI InChI=1S/C22H29NO6/c1-22-7-6-14-13-3-2-12(24)8-16(13)18(29-11-20(26)23-10-21(27)28)9-15(14)17(22)4-5-19(22)25/h2-3,8,14-15,17-19,24-25H,4-7,9-11H2,1H3,(H,23,26)(H,27,28)/t14-,15-,17+,18-,19+,22+/m1/s1 InChIKey JEGKAYVSLKDROK-WCGJJXIBSA-N SMILES [H][C@]12CC[C@]3(C)[C@@H](O)CC[C@@]3([H])[C@]1([H])C[C@@H](OCC(=O)NCC(O)=O)c1cc(O)ccc21 Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing 6β-[N-(carboxymethylamino)carbonyl]methoxy-17β-estradiol (CHEBI:62852) has functional parent 17β-estradiol (CHEBI:16469) 6β-[N-(carboxymethylamino)carbonyl]methoxy-17β-estradiol (CHEBI:62852) is a monocarboxylic acid (CHEBI:25384) 6β-[N-(carboxymethylamino)carbonyl]methoxy-17β-estradiol (CHEBI:62852) is a steroid acid (CHEBI:47891) IUPAC Name N-({[(6β,17β)-3,17-dihydroxyestra-1(10),2,4-trien-6-yl]oxy}acetyl)glycine Synonyms Sources 17β-estradiol-6-EMC ChEBI 6β-EMC-17β-estradiol ChEBI Citation Type Source 11812141 PubMed citation Europe PMC Last Modified 05 December 2013