17β-estradiol 17-glucosiduronate

Chemical Formula:

C₂₄H₃₁O₈

Molecular Weight:

447.504 Daltons

Monoisotopic Mass:

448.20971800399997 Daltons

SMILES:

CC34(CC[CH]1(C5(C=CC(O)=CC(CC[CH]1[CH](CCC(OC2(C(O)C(O)C(O)C(C(=O)[O-])O2))3)4)=5)))

InChI:

1S/C24H32O8/c1-24-9-8-14-13-5-3-12(25)10-11(13)2-4-15(14)16(24)6-7-17(24)31-23-20(28)18(26)19(27)21(32-23)22(29)30/h3,5,10,14-21,23,25-28H,2,4,6-9H2,1H3,(H,29,30)/p-1/t14-,15-,16+,17+,18+,19+,20-,21+,23-,24+/m1/s1

InChIKey:

MTKNDAQYHASLID-QXYWQCSFSA-M

Synonyms

estradiol-17β-glucuronide
glucuronosylestradiol

Databases

MetaCyc: CPD-21227

KEGG: C11237

ChEBI: 82961

PubChem (CID): 443090