U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ABSOLUTE
Molecular Formula C48H95NO4
Molecular Weight 750.2722
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of N-(2'-(S)-hydroxyhexacosanoyl)-D-erythro-C22-sphingosine

SMILES

CCCCCCCCCCCCCCCCCCCCCCCC[C@H](O)C(=O)N[C@@H](CO)[C@H](O)\C=C\CCCCCCCCCCCCCCCCC

InChI

InChIKey=ZOIQBXTYUKGMIF-HJVQKKJBSA-N
InChI=1S/C48H95NO4/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-27-29-31-33-35-37-39-41-43-47(52)48(53)49-45(44-50)46(51)42-40-38-36-34-32-30-28-26-20-18-16-14-12-10-8-6-4-2/h40,42,45-47,50-52H,3-39,41,43-44H2,1-2H3,(H,49,53)/b42-40+/t45-,46+,47-/m0/s1

HIDE SMILES / InChI

Molecular Formula C48H95NO4
Molecular Weight 750.2722
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
F4FQQ8DW2X
Record Status Validated (UNII)
Record Version