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

Details

Stereochemistry ABSOLUTE
Molecular Formula C42H85NO5
Molecular Weight 684.128
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-(S)-alpha-Hydroxyhexacosanoyl-C16-Phytosphingosine

SMILES

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

InChI

InChIKey=MBNDKWTYEPBPEF-XRFUAQTBSA-N
InChI=1S/C42H85NO5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-40(46)42(48)43-38(37-44)41(47)39(45)35-33-31-29-27-14-12-10-8-6-4-2/h38-41,44-47H,3-37H2,1-2H3,(H,43,48)/t38-,39+,40-,41-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
C26 (2’(S)-hydroxy) Phytoceramide (t16:0/26:0)
Preferred Name English
N-(S)-alpha-Hydroxyhexacosanoyl-C16-Phytosphingosine
Systematic Name English
Hexacosanamide, N-[(1S,2S,3R)-2,3-dihydroxy-1-(hydroxymethyl)pentadecyl]-2-hydroxy-, (2S)-
Systematic Name English
(2S)-N-[(1S,2S,3R)-2,3-Dihydroxy-1-(hydroxymethyl)pentadecyl]-2-hydroxyhexacosanamide
Systematic Name English
Code System Code Type Description
FDA UNII
VLU8BYU57X
Created by admin on Wed Apr 02 20:31:59 GMT 2025 , Edited by admin on Wed Apr 02 20:31:59 GMT 2025
PRIMARY