(Q115965939)

English

2-[4-(3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoylamino]ethanesulfonic acid

group of stereoisomers with the chemical formula C₂₆H₄₅NO₆S

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Statements

group of stereoisomers

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chemical compound

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499.29675916 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₆H₄₅NO₆S

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canonical SMILES

O=C(NCCS(=O)(=O)O)CCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C

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1 reference

A community-driven global reconstruction of human metabolism.

Identifiers

InChI=1S/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)

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BHTRKEVKTKCXOH-UHFFFAOYSA-N

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1 reference

3 January 2023

based on heuristic

inferred from InChIKey

UniChem compound ID

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Human Metabolome Database ID

1 reference

based on heuristic

inferred from InChIKey

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