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

ChEBI IDCHEBI:62852
ChEBI Name6β-[N-(carboxymethylamino)carbonyl]methoxy-17β-estradiol
Stars
ASCII Name6beta-[N-(carboxymethylamino)carbonyl]methoxy-17beta-estradiol
DefinitionA steroid acid that consists of 17β-estradiol bearing an N-(carboxymethylamino)carbonylmethoxy at the 6β-position
Last Modified5 December 2013
SubmitterSteve
DownloadsMolfile
FormulaC22H29NO6
Net Charge0
Average Mass403.475
Monoisotopic Mass403.19949
SMILES[H][C@@]12C[C@@H](OCC(=O)NCC(=O)O)c3cc(O)ccc3[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H]
InChIInChI=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
InChIKeyJEGKAYVSLKDROK-WCGJJXIBSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
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  Source
6β-EMC-17β-estradiolChEBI
17β-estradiol-6-EMCChEBI
Citations