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Details

Stereochemistry ABSOLUTE
Molecular Formula C40H77NO9
Molecular Weight 716.0407
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 1-O-.BETA.-GLUCOPYRANOSYL-(2S,3R,8Z)-2-N-((2'R)-HYDROXYPALMITOYL)-8-SPHINGENINE

SMILES

CCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)CCCC\C=C/CCCCCCCCC

InChI

InChIKey=NJXYDZDDOCQODQ-FCAPPQLESA-N
InChI=1S/C40H77NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,32-38,40,42-47H,3-18,21-31H2,1-2H3,(H,41,48)/b20-19-/t32-,33+,34+,35+,36+,37-,38+,40+/m0/s1

HIDE SMILES / InChI

Molecular Formula C40H77NO9
Molecular Weight 716.0407
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:15:55 UTC 2023
Edited
by admin
on Sat Dec 16 10:15:55 UTC 2023
Record UNII
J89NGX3TRN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-O-.BETA.-GLUCOPYRANOSYL-(2S,3R,8Z)-2-N-((2'R)-HYDROXYPALMITOYL)-8-SPHINGENINE
Common Name English
HEXADECANAMIDE, N-((1S,2R,7Z)-1-((.BETA.-D-GLUCOPYRANOSYLOXY)METHYL)-2-HYDROXY-7-HEPTADECEN-1-YL)-2-HYDROXY-, (2R)-
Systematic Name English
GLUCOSYL CERAMIDE, 1-O-.BETA.-GLUCOPYRANOSYL-(2S,3R,8Z)-2-N-((2'R)-HYDROXYPALMITOYL)-8-SPHINGENINE-
Common Name English
(2R)-N-((1S,2R,7Z)-1-((.BETA.-D-GLUCOPYRANOSYLOXY)METHYL)-2-HYDROXY-7-HEPTADECEN-1-YL)-2-HYDROXYHEXADECANAMIDE
Systematic Name English
Code System Code Type Description
FDA UNII
J89NGX3TRN
Created by admin on Sat Dec 16 10:15:55 UTC 2023 , Edited by admin on Sat Dec 16 10:15:55 UTC 2023
PRIMARY
CAS
136599-18-3
Created by admin on Sat Dec 16 10:15:55 UTC 2023 , Edited by admin on Sat Dec 16 10:15:55 UTC 2023
PRIMARY
PUBCHEM
162623606
Created by admin on Sat Dec 16 10:15:55 UTC 2023 , Edited by admin on Sat Dec 16 10:15:55 UTC 2023
PRIMARY
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