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N-heptadecanoyl-D-erythro-sphingosylphosphorylcholine - >99%, high purity , CAS No.121999-64-2

COA

Grade & Purity:

≥99%

Cas Number: 121999-64-2
Molecular Weight: 717.055
PubChem CID: 46891763
PubChem SID: 504770834

In stock

Item Number

N130672

Grouped product items
SKU	Size	Availability	Price	Qty
N130672-1mg	1mg	2	$618.90
N130672-5mg	5mg	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$2,095.90

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Metabolite (5307) Sphingolipids (98)

Basic Description

Synonyms	121999-64-2 \| N-(heptadecanoyl)-sphing-4-enine-1-phosphocholine \| SM(d18:1/17:0) \| N-heptadecanoyl-D-erythro-sphingosylphosphorylcholine \| [(E,2S,3R)-2-(heptadecanoylamino)-3-hydroxyoctadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate \| C17 Sphingomyelin (d18:1/17
Specifications & Purity	≥99%
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Sphingolipids
    - Subclass Phosphosphingolipids

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Sphingolipids
Subclass	Phosphosphingolipids
Intermediate Tree Nodes	Not available
Direct Parent	Phosphosphingolipids
Alternative Parents	Phosphocholines Phosphoethanolamines Dialkyl phosphates N-acyl amines Tetraalkylammonium salts Secondary carboxylic acid amides Secondary alcohols Organopnictogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines
Molecular Framework	Aliphatic acyclic compounds
Substituents	Sphingoid-1-phosphate or derivatives - Phosphocholine - Phosphoethanolamine - Dialkyl phosphate - Fatty amide - N-acyl-amine - Organic phosphoric acid derivative - Phosphoric acid ester - Fatty acyl - Alkyl phosphate - Tetraalkylammonium salt - Quaternary ammonium salt - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Carboxylic acid derivative - Organic zwitterion - Alcohol - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Amine - Organic salt - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as phosphosphingolipids. These are sphingolipids with a structure based on a sphingoid base that is attached to a phosphate head group. They differ from phosphonospingolipids which have a phosphonate head group.
External Descriptors	Ceramide phosphocholines (sphingomyelins)
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	504770834
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504770834
IUPAC Name	[(E,2S,3R)-2-(heptadecanoylamino)-3-hydroxyoctadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
INCHI	InChI=1S/C40H81N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-40(44)41-38(37-48-49(45,46)47-36-35-42(3,4)5)39(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h31,33,38-39,43H,6-30,32,34-37H2,1-5H3,(H-,41,44,45,46)/b33-31+/t38-,39+/m0/s1
InChIKey	YMQZQHIESOAPQH-JXGHDCMNSA-N
Smiles	CCCCCCCCCCCCCCCCC(=O)NC(COP(=O)([O-])OCC[N+](C)(C)C)C(C=CCCCCCCCCCCCCC)O
Isomeric SMILES	CCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H](/C=C/CCCCCCCCCCCCC)O
PubChem CID	46891763
Molecular Weight	717.055

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot Number	Certificate Type	Date	Item
K2218979	Certificate of Analysis	Sep 15, 2023	N130672
K22181020	Certificate of Analysis	Sep 15, 2023	N130672
G2214567	Certificate of Analysis	Apr 18, 2023	N130672
G2214566	Certificate of Analysis	Jun 27, 2022	N130672

Chemical and Physical Properties

Molecular Weight	717.100 g/mol
XLogP3	12.800
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	37
Exact Mass	716.583 Da
Monoisotopic Mass	716.583 Da
Topological Polar Surface Area	108.000 Å²
Heavy Atom Count	49
Formal Charge	0
Complexity	811.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	1
Covalently-Bonded Unit Count	1

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