TAUROSELCHOLIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H45NO7SSe
Molecular Weight	594.66
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CC[C@H]([C@H](C)C[Se]CC(=O)NCCS(O)(=O)=O)[C@@]1(C)[C@@H](O)C[C@@]3([H])[C@@]2([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]34C

InChI

InChIKey=JCMLWGQJPSGGEI-HZAMXZRMSA-N

InChI=1S/C26H45NO7SSe/c1-15(13-36-14-23(31)27-8-9-35(32,33)34)18-4-5-19-24-20(12-22(30)26(18,19)3)25(2)7-6-17(28)10-16(25)11-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C26H45NO7SSe
Molecular Weight	594.66
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 `Fri Dec 15 16:27:07 GMT 2023` Edited by `admin` on `Fri Dec 15 16:27:07 GMT 2023`
Record UNII	H6630PU5ZJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TAUROSELCHOLIC ACID

Official Name

English

SEHCAT

Code

English

N-((((20S)-3.ALPHA.,7.ALPHA.,12.ALPHA.-TRIHYDROXY-20-METHYL-5.BETA.-PREGNAN-21-YL)SELENYL)ACETYL)TAURINE

Common Name

English

tauroselcholic acid [INN]

Common Name

English

Tauroselcholic acid [WHO-DD]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C1446