TAUROGLYCOCHOLIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H48N2O8S
Molecular Weight	572.754
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(=O)NCC(=O)NCCS(O)(=O)=O

InChI

InChIKey=URJQSMIFSMHWSP-VVHBOOHCSA-N

InChI=1S/C28H48N2O8S/c1-16(4-7-24(34)30-15-25(35)29-10-11-39(36,37)38)19-5-6-20-26-21(14-23(33)28(19,20)3)27(2)9-8-18(31)12-17(27)13-22(26)32/h16-23,26,31-33H,4-15H2,1-3H3,(H,29,35)(H,30,34)(H,36,37,38)/t16-,17+,18-,19-,20+,21+,22-,23+,26+,27+,28-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C28H48N2O8S
Molecular Weight	572.754
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 11
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:16:13 UTC 2023` Edited by `admin` on `Sat Dec 16 14:16:13 UTC 2023`
Record UNII	VV181JY3L5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TAUROGLYCOCHOLIC ACID

Common Name

English

ETHANESULFONIC ACID, 2-(((((3.ALPHA.,5.BETA.,7.ALPHA.,12.ALPHA.)-3,7,12-TRIHYDROXY-24-OXOCHOLAN-24-YL)AMINO)ACETYL)AMINO)-

Systematic Name

English

GLYCOTAUROCHOLIC ACID

Common Name

English

Code System Code Type Description

CAS

26198-66-3

Created by admin on Sat Dec 16 14:16:13 UTC 2023 , Edited by admin on Sat Dec 16 14:16:13 UTC 2023

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FDA UNII

VV181JY3L5

Created by admin on Sat Dec 16 14:16:13 UTC 2023 , Edited by admin on Sat Dec 16 14:16:13 UTC 2023

PRIMARY

PUBCHEM

119420

Created by admin on Sat Dec 16 14:16:13 UTC 2023 , Edited by admin on Sat Dec 16 14:16:13 UTC 2023

PRIMARY

Related Record Type Details


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SODIUM TAUROGLYCOCHOLATE

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