(Q74417574)

English

17beta-estradiol 3-O-(beta-D-glucuronide)(1-)

anion

In more languages

Statements

type of chemical entity

0 references

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carbohydrate acid derivative anion

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447.20244153190987 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

stereoisomer of

17alpha-estradiol 3-glucosiduronate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₄H₃₁O₈⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC12CCC3c4ccc(OC5OC(C(=O)[O-])C(O)C(O)C5O)cc4CCC3C1CCC2O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)[O-])O)O)O

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Identifiers

InChI=1S/C24H32O8/c1-24-9-8-14-13-5-3-12(10-11(13)2-4-15(14)16(24)6-7-17(24)25)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

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MUOHJTRCBBDUOW-QXYWQCSFSA-M

2 references

ChEBI release 2019-11-01

ChEBI release 2020-09-01

1 reference

matched by identifier from

MUOHJTRCBBDUOW-QXYWQCSFSA-M

mapping relation type

1 reference

matched by identifier from

International Chemical Identifier

InChI=1S/C24H32O8/c1-24-9-8-14-13-5-3-12(10-11(13)2-4-15(14)16(24)6-7-17(24)25)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

UniChem compound ID

1 reference

1 reference

matched by identifier from

MUOHJTRCBBDUOW-QXYWQCSFSA-M

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