PHYTOSPHINGOSINE PCA

Details

Stereochemistry	EPIMERIC
Molecular Formula	C18H39NO3.C5H7NO3
Molecular Weight	446.6211
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)C1CCC(=O)N1.CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@@H](N)CO

InChI

InChIKey=CMYDLTSVAJKTPU-RXQQAGQTSA-N

InChI=1S/C18H39NO3.C5H7NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20;7-4-2-1-3(6-4)5(8)9/h16-18,20-22H,2-15,19H2,1H3;3H,1-2H2,(H,6,7)(H,8,9)/t16-,17+,18-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C18H39NO3
Molecular Weight	317.5072
Charge	0
Count

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

Molecular Formula	C5H7NO3
Molecular Weight	129.114
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:02:45 GMT 2025` Edited by `admin` on `Mon Mar 31 21:02:45 GMT 2025`
Record UNII	8SPM8ANN58
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1,3,4-OCTADECANETRIOL, 2-AMINO-, (2S,3S,4R)-, COMPD. WITH 5-OXOPROLINE (1:1)

Preferred Name

English

PHYTOSPHINGOSINE PCA

Official Name

English

PROLINE, 5-OXO-, COMPD. WITH (2S,3S,4R)-2-AMINO-1,3,4-OCTADECANETRIOL (1:1)

Systematic Name

English

Code System Code Type Description

FDA UNII

8SPM8ANN58

Created by admin on Mon Mar 31 21:02:45 GMT 2025 , Edited by admin on Mon Mar 31 21:02:45 GMT 2025

PRIMARY

PUBCHEM

9889791

Created by admin on Mon Mar 31 21:02:45 GMT 2025 , Edited by admin on Mon Mar 31 21:02:45 GMT 2025

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CAS

291520-27-9

Created by admin on Mon Mar 31 21:02:45 GMT 2025 , Edited by admin on Mon Mar 31 21:02:45 GMT 2025

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