Ceramide NG
Basic information
- CAS
2304-80-5- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC- InChIKey
KZTJQXAANJHSCE-OIDHKYIRSA-N- Molecular formula
- C36H73NO3
- Average molar mass
- 568 g/mol
- Monoisotopic mass
- 567.5590452
Overview
N-octodecanoylsphinganine is a dihydroceramide in which the ceramide N-acyl group is specified as octadecanoyl (stearoyl). It has a role as a mouse metabolite. It is a N-stearoyl-sphingoid base and a N-acylsphinganine. It is functionally related to an octadecanoic acid.
Names & identifiers
- Preferred name
- Ceramide NG
- IUPAC
- N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]octadecanamide
- English name
- C18 Dihydroceramide
- Molecular formula
- C36H73NO3
- Molecular weight
- 567.97
Names & synonyms
CERAMIDE NGn-stearoyl dihydrosphingosineCeramide 2Ceramide NSCeramide 2 pureC04977SRJ5(2S,3R)-2-(Octadecanoylamino)octadecane-1,3-diol1-stearoyl-C18-sphingosinepalmitoyl-c16-dihydrosphingosineOctadecanamide, N-((1S,2R)-2-hydroxy-1-(hydroxymethyl)heptadecyl)-Octadecanamide, N-(2-hydroxy-1-(hydroxymethyl)heptadecyl)-, D-erythro-Octadecanamide, N-(2-hydroxy-1-(hydroxymethyl)heptadecyl)-, (R-(R*,S*))-
Show more names
C18 Dihydroceramide (d18:0/18:0)Ceramide NG (NDS)C18 Dihydroceramide,Ceramide NGC18 dihydro Ceramide (d18:0/18:0) (Standard)C18 Dihydroceramide (d18:0/18:0)/Ceramide NGN-[(2S,3R)-1,3-Dihydroxy-2-octadecyl]stearamideN-stearoyl-D-erythro-sphinganine (C18 Dihydroceramide)N-[(1S,2R)-2-Hydroxy-1-(hydroxyMethyl)heptadecyl]octadecanaMideN-STEAROYL-D-ERYTHRO-SPHINGANINEC18 DIHYDROCERAMIDE (D18:0/18:0)
CERAMIDE TIC-001DTXSID50177594Octadecanamide, N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)heptadecyl]-RefChem:575148CERAMIDE NG [INCI]CERAMIDE NS [INCI]CERAMIDE 2 (RETIRED)DTXCID10100085
Properties
Computed structural properties
- XLogP
- 14.5
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 33
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 498
Experimental & physicochemical properties
LipidsLipids -> Sphingolipids [SP] -> Ceramides [SP02] -> N-acylsphinganines (dihydroceramides) [SP0202]
Cosmetics
Cosmetic ingredients (Ceramide 2) -> CIR (Cosmetic Ingredient Review)
Cosmetic ingredients (Ceramide NG) -> CIR (Cosmetic Ingredient Review)
Cosmetic ingredients (Ceramide NS) -> CIR (Cosmetic Ingredient Review)
Personal care product
Hair conditioning; Skin conditioning
Physical DescriptionSolid
Collision Cross Section
259 Ų [M+HCOO]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
263.1 Ų [M+H]+ [CCS Type: TW; Method: calibrated with phosphatidylcholines (ESI+) and phosphatidylethanolamines (ESI-)]
261.92 Ų [M+H]+ [CCS Type: DT; Method: stepped-field]
Physicochemical properties
- Melting point
- 104 · 104-106°C
- Boiling point
- 694.8 · 694.8±45.0 °C(Predicted)
- Density
- 0.909 · 0.909±0.06 g/cm3(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Octadecanamide, N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)heptadecyl]-
Toxicology
Toxicity Summary
Safe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
Safe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
Safe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Uses & manufacturing
Uses
CIR ingredient: Ceramide 2
CIR ingredient: Ceramide NG
CIR ingredient: Ceramide NS
Household ProductsInformation on 7 consumer products that contain Ceramide 2 in the following categories is provided:
Use ClassificationCosmetics -> Hair conditioning; Skin conditioning
Applications
UsesC18 Dihydroceramide can be used for ceramide composition with repairing function and cosmetic.
Additional notes
DefinitionChEBI: N-octodecanoylsphinganine is a dihydroceramide in which the ceramide N-acyl group is specified as octadecanoyl (stearoyl). It has a role as a mouse metabolite. It is a N-acylsphinganine and a N-stearoyl-sphingoid base. It is functionally related to an octadecanoic acid.
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Related reactions
4 records
Compound notes
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