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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H45NO6
Molecular Weight 479.6493
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CHOLYLSARCOSINE

SMILES

C[C@H](CCC(=O)N(C)CC(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]3C[C@H](O)[C@]12C

InChI

InChIKey=DRRMEMPJCIGHMB-ZNLOGFMMSA-N
InChI=1S/C27H45NO6/c1-15(5-8-23(32)28(4)14-24(33)34)18-6-7-19-25-20(13-22(31)27(18,19)3)26(2)10-9-17(29)11-16(26)12-21(25)30/h15-22,25,29-31H,5-14H2,1-4H3,(H,33,34)/t15-,16+,17-,18-,19+,20+,21-,22+,25+,26+,27-/m1/s1

HIDE SMILES / InChI

Molecular Formula C27H45NO6
Molecular Weight 479.6493
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 Mon Mar 31 18:11:33 GMT 2025
Edited
by admin
on Mon Mar 31 18:11:33 GMT 2025
Record UNII
IUB3L95RAQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CHOLYLSARCOSINE
Common Name English
GLYCINE, N-METHYL-N-((3.ALPHA.,5.BETA.,7.ALPHA.,12.ALPHA.)-3,7,12-TRIHYDROXY-24-OXOCHOLAN-24-YL)-
Preferred Name English
CHOLYL-N-METHYLGLYCINE
Common Name English
SARCOCHOLIC ACID
Common Name English
Code System Code Type Description
CAS
93790-70-6
Created by admin on Mon Mar 31 18:11:33 GMT 2025 , Edited by admin on Mon Mar 31 18:11:33 GMT 2025
PRIMARY
FDA UNII
IUB3L95RAQ
Created by admin on Mon Mar 31 18:11:33 GMT 2025 , Edited by admin on Mon Mar 31 18:11:33 GMT 2025
PRIMARY
EPA CompTox
DTXSID50917952
Created by admin on Mon Mar 31 18:11:33 GMT 2025 , Edited by admin on Mon Mar 31 18:11:33 GMT 2025
PRIMARY
PUBCHEM
11662986
Created by admin on Mon Mar 31 18:11:33 GMT 2025 , Edited by admin on Mon Mar 31 18:11:33 GMT 2025
PRIMARY
Related Record Type Details
LABELED -> NON-LABELED
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY