N-[(3?,5?,7?)-3,7-Dihydroxy-24-oxocholan-24-yl]-L-cysteine

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H45NO5S
Molecular Weight	495.715
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-[(3?,5?,7?)-3,7-Dihydroxy-24-oxocholan-24-yl]-L-cysteine

Structure Search

SMILES

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

InChI

InChIKey=RIGHMQLKMHLMQD-OCOZSEOVSA-N

InChI=1S/C27H45NO5S/c1-15(4-7-23(31)28-21(14-34)25(32)33)18-5-6-19-24-20(9-11-27(18,19)3)26(2)10-8-17(29)12-16(26)13-22(24)30/h15-22,24,29-30,34H,4-14H2,1-3H3,(H,28,31)(H,32,33)/t15-,16+,17-,18-,19+,20+,21+,22-,24+,26+,27-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C27H45NO5S
Molecular Weight	495.715
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 20:00:53 GMT 2025` Edited by `admin` on `Wed Apr 02 20:00:53 GMT 2025`
Record UNII	P5F8AW8AUZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-[(3?,5?,7?)-3,7-Dihydroxy-24-oxocholan-24-yl]-L-cysteine

Systematic Name

English

L-Cysteine, N-[(3?,5?,7?)-3,7-dihydroxy-24-oxocholan-24-yl]-

Preferred Name

English

Code System Code Type Description

CAS

1854104-55-4

Created by admin on Wed Apr 02 20:00:53 GMT 2025 , Edited by admin on Wed Apr 02 20:00:53 GMT 2025

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FDA UNII

P5F8AW8AUZ

Created by admin on Wed Apr 02 20:00:53 GMT 2025 , Edited by admin on Wed Apr 02 20:00:53 GMT 2025

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PUBCHEM

163162012

Created by admin on Wed Apr 02 20:00:53 GMT 2025 , Edited by admin on Wed Apr 02 20:00:53 GMT 2025

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