N-Docosanoyl Phytosphingosine

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C40H81NO4
Molecular Weight	640.0754
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-Docosanoyl Phytosphingosine

Structure Search

SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)[C@H](O)CCCCCCCCCCCCCC

InChI

InChIKey=CIMNZQFRNXDRER-HIERITDVSA-N

InChI=1S/C40H81NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-39(44)41-37(36-42)40(45)38(43)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h37-38,40,42-43,45H,3-36H2,1-2H3,(H,41,44)/t37-,38+,40-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C40H81NO4
Molecular Weight	640.0754
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 08:33:22 GMT 2025` Edited by `admin` on `Wed Apr 02 08:33:22 GMT 2025`
Record UNII	5KR90I1Q75
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-Docosanoyl Phytosphingosine

Systematic Name

English

C22 Phytoceramide (t18:0/22:0)

Preferred Name

English

N-[(1S,2S,3R)-2,3-Dihydroxy-1-(hydroxymethyl)heptadecyl]docosanamide

Systematic Name

English

Docosanamide, N-[(1S,2S,3R)-2,3-dihydroxy-1-(hydroxymethyl)heptadecyl]-

Systematic Name

English

Code System Code Type Description

FDA UNII

5KR90I1Q75

Created by admin on Wed Apr 02 08:33:22 GMT 2025 , Edited by admin on Wed Apr 02 08:33:22 GMT 2025

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CAS

164576-03-8

Created by admin on Wed Apr 02 08:33:22 GMT 2025 , Edited by admin on Wed Apr 02 08:33:22 GMT 2025

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PUBCHEM

5322153

Created by admin on Wed Apr 02 08:33:22 GMT 2025 , Edited by admin on Wed Apr 02 08:33:22 GMT 2025

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