U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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-[(3α,5β,7α)-3,7-Dihydroxy-24-oxocholan-24-yl]-L-cysteine

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])CC[C@]12C)[C@H](C)CCC(=O)N[C@@H](CS)C(O)=O

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

Approval Year

Name Type Language
N-[(3α,5β,7α)-3,7-Dihydroxy-24-oxocholan-24-yl]-L-cysteine
Systematic Name English
L-Cysteine, N-[(3α,5β,7α)-3,7-dihydroxy-24-oxocholan-24-yl]-
Systematic Name English
Code System Code Type Description
CAS
1854104-55-4
Created by admin on Sat Dec 16 20:22:09 GMT 2023 , Edited by admin on Sat Dec 16 20:22:09 GMT 2023
PRIMARY
FDA UNII
P5F8AW8AUZ
Created by admin on Sat Dec 16 20:22:09 GMT 2023 , Edited by admin on Sat Dec 16 20:22:09 GMT 2023
PRIMARY
PUBCHEM
163162012
Created by admin on Sat Dec 16 20:22:09 GMT 2023 , Edited by admin on Sat Dec 16 20:22:09 GMT 2023
PRIMARY