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

Details

Stereochemistry ABSOLUTE
Molecular Formula C66H119NO5
Molecular Weight 1006.6548
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CHOLESTERYL/BEHENYL LAUROYL GLUTAMATE

SMILES

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)[C@H](CCC(=O)OCCCCCCCCCCCCCCCCCCCCCC)NC(=O)CCCCCCCCCCC)[C@H](C)CCCC(C)C

InChI

InChIKey=QTHNILYQHVDCHR-UIDXYIRPSA-N
InChI=1S/C66H119NO5/c1-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-28-30-32-34-36-51-71-63(69)46-45-61(67-62(68)40-35-33-31-29-17-15-13-11-9-2)64(70)72-56-47-49-65(6)55(52-56)41-42-57-59-44-43-58(54(5)39-37-38-53(3)4)66(59,7)50-48-60(57)65/h41,53-54,56-61H,8-40,42-52H2,1-7H3,(H,67,68)/t54-,56+,57+,58-,59+,60+,61+,65+,66-/m1/s1

HIDE SMILES / InChI

Molecular Formula C66H119NO5
Molecular Weight 1006.6548
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 01:46:38 GMT 2023
Edited
by admin
on Sat Dec 16 01:46:38 GMT 2023
Record UNII
P8P08S5BVX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CHOLESTERYL/BEHENYL LAUROYL GLUTAMATE
Common Name English
L-GLUTAMIC ACID, N-(1-OXODODECYL)-, 1-(3.BETA.)-CHOLEST-5-EN-3-YL 5-DOCOSYL ESTER
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID60160275
Created by admin on Sat Dec 16 01:46:39 GMT 2023 , Edited by admin on Sat Dec 16 01:46:39 GMT 2023
PRIMARY
PUBCHEM
71587493
Created by admin on Sat Dec 16 01:46:39 GMT 2023 , Edited by admin on Sat Dec 16 01:46:39 GMT 2023
PRIMARY
FDA UNII
P8P08S5BVX
Created by admin on Sat Dec 16 01:46:39 GMT 2023 , Edited by admin on Sat Dec 16 01:46:39 GMT 2023
PRIMARY
CAS
137728-22-4
Created by admin on Sat Dec 16 01:46:39 GMT 2023 , Edited by admin on Sat Dec 16 01:46:39 GMT 2023
PRIMARY