(Q82984070)

English

Disodium {[7-hydroxy-24-oxido-3-(sulfooxy)cholan-24-ylidene]amino}acetate

group of stereoisomers with the chemical formula C₂₆H₄₁NNa₂O₈S

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

573.234826832 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₆H₄₁NNa₂O₈S

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based on heuristic

inferred from SMILES

canonical SMILES

CC(CCC([O-])=NCC(=O)[O-])C1CCC2C3C(O)CC4CC(OS(=O)(=O)O)CCC4(C)C3CCC12C.[Na+].[Na+]

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C[C@H](CCC([O-])=NCC(=O)[O-])[C@H]1CCC2C3C(CC[C@@]21C)[C@@]1(C)CC[C@@H](OS(=O)(=O)O)C[C@H]1C[C@@H]3O.[Na+].[Na+]

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C26H43NO8S.2Na/c1-15(4-7-22(29)27-14-23(30)31)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(35-36(32,33)34)12-16(25)13-21(24)28;;/h15-21,24,28H,4-14H2,1-3H3,(H,27,29)(H,30,31)(H,32,33,34);;/q;2*+1/p-2/t15-,16+,17-,18-,19?,20?,21+,24?,25+,26-;;/m1../s1

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InChIKey

MJXWPLXHDUSUKI-MQZBASCXSA-L

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DSSTOX compound identifier

DTXCID101420460

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(Q82984070)

Disodium {[7-hydroxy-24-oxido-3-(sulfooxy)cholan-24-ylidene]amino}acetate

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Identifiers

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