TAURINE HYODEOXYCHOLATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H45NO6S
Molecular Weight	499.704
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=HMXPOCDLAFAFNT-BHYUGXBJSA-N

InChI=1S/C26H45NO6S/c1-16(4-7-24(30)27-12-13-34(31,32)33)19-5-6-20-18-15-23(29)22-14-17(28)8-10-26(22,3)21(18)9-11-25(19,20)2/h16-23,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17-,18+,19-,20+,21+,22+,23+,25-,26-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C26H45NO6S
Molecular Weight	499.704
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 07:54:08 GMT 2023` Edited by `admin` on `Sat Dec 16 07:54:08 GMT 2023`
Record UNII	D6V086EMME
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TAURINE HYODEOXYCHOLATE

Common Name

English

TAURINE, N-(3.ALPHA.,6.ALPHA.-DIHYDROXY-5.BETA.-CHOLAN-24-OYL)-

Common Name

English

ETHANESULFONIC ACID, 2-(((3.ALPHA.,5.BETA.,6.ALPHA.)-3,6-DIHYDROXY-24-OXOCHOLAN-24-YL)AMINO)-

Systematic Name

English

TAUROHYODEOXYCHOLIC ACID

Common Name

English

Code System Code Type Description

CAS

2958-04-5

Created by admin on Sat Dec 16 07:54:08 GMT 2023 , Edited by admin on Sat Dec 16 07:54:08 GMT 2023

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EPA CompTox

DTXSID10952061

Created by admin on Sat Dec 16 07:54:08 GMT 2023 , Edited by admin on Sat Dec 16 07:54:08 GMT 2023

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FDA UNII

D6V086EMME

Created by admin on Sat Dec 16 07:54:08 GMT 2023 , Edited by admin on Sat Dec 16 07:54:08 GMT 2023

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PUBCHEM

119046

Created by admin on Sat Dec 16 07:54:08 GMT 2023 , Edited by admin on Sat Dec 16 07:54:08 GMT 2023

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