Ceramide 3

Details

• Internal ID: 0540365e-f474-487a-b8b8-4709f0242cec
• Taxonomy: Lipids and lipid-like molecules > Sphingolipids > Ceramides > Phytoceramides
• IUPAC Name: N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]octadecanamide
• InChI: InChI=1S/C36H73NO4/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-35(40)37-33(32-38)36(41)34(39)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h33-34,36,38-39,41H,3-32H2,1-2H3,(H,37,40)/t33-,34+,36-/m0/s1
• InChI Key: IEZRNEGTKRQRFV-LFBNJJMOSA-N
• Popularity: 17 references in papers

Physical and Chemical Properties

• Molecular Formula: C₃₆H₇₃NO₄
• Molecular Weight: 584.00 g/mol
• Exact Mass: 583.55395981 g/mol
• Topological Polar Surface Area (TPSA): 89.80 Ų
• XlogP: 13.30

Synonyms

• 34354-88-6
• N-(octadecanoyl)-4R-hydroxysphinganine
• N-(stearoyl)-phytoceramide
• N-(octadecanoyl)-phytoceramide
• Cer(t18:0/18:0)
• N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]octadecanamide
• N-octadecanoyl-4-hydroxysphinganine
• N-[(1S,2S,3R)-2,3-Dihydroxy-1-(hydroxymethyl)heptadecyl]octadecanamide
• N-STEAROYL-PHYTOSPHINGOSINE
• N-stearoylphytosphingosine
• C18 3-Hydroxy Dihydroceramide
• Cellapy A Repair
• N-stearoylphytoceramide
• Cellapy A Repair Cream
• N-C18:0 Phytoceramide
• N-octadecanoylphytoceramide
• N-octadecanoyl phytosphingosine
• N-stearoyl-4-hydroxysphinganine
• phytosphingosine-18:0 ceramide
• SCHEMBL1481537
• CHEBI:67035
• DTXSID80963881
• N-(octadecanoyl)-phytosphingosine
• IEZRNEGTKRQRFV-LFBNJJMOSA-N
• DTXSID901335580
• N-(octadecanoyl)-hydroxysphinganine
• LMSP02030006
• AKOS040755841
• C18 Phytoceramide (t18:0/18:0)
• JNH Ato-Care Super Barried ATO-Serum
• N-octadecanoyl-(4R)-hydroxysphinganine
• PHC-B 18:0/18:0
• HY-141582
• N-Stearoyl-phytosphingosine, >=98% (GC)
• CS-0181739
• J-019566
• Q27135594
• N-(1,3,4-Trihydroxyoctadecan-2-yl)octadecanimidic acid
• N-((2S,3S,4R)-1,3,4-Trihydroxyoctadecan-2-yl)stearamide
• galactosyl-alpha(1-4)-galactosyl-beta(1-4)-glucosyl-beta(1-1)-ceramide
• N-18:0 Phytosphingosine, N-stearoyl 4-hydroxysphinganine (Saccharomyces Cerevisiae), powder

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL4040	P28482	MAP kinase ERK2	99.63%	83.82%
CHEMBL2581	P07339	Cathepsin D	98.51%	98.95%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	97.88%	97.29%
CHEMBL230	P35354	Cyclooxygenase-2	97.64%	89.63%
CHEMBL3060	Q9Y345	Glycine transporter 2	97.46%	99.17%
CHEMBL2955	O95136	Sphingosine 1-phosphate receptor Edg-5	95.22%	92.86%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.94%	96.09%
CHEMBL299	P17252	Protein kinase C alpha	92.13%	98.03%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	89.33%	92.08%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	89.19%	100.00%
CHEMBL3359	P21462	Formyl peptide receptor 1	89.04%	93.56%
CHEMBL5043	Q6P179	Endoplasmic reticulum aminopeptidase 2	88.26%	91.81%
CHEMBL2265	P23141	Acyl coenzyme A:cholesterol acyltransferase	87.43%	85.94%
CHEMBL3130	O00329	PI3-kinase p110-delta subunit	86.03%	96.47%
CHEMBL4227	P25090	Lipoxin A4 receptor	83.65%	100.00%
CHEMBL3401	O75469	Pregnane X receptor	83.14%	94.73%
CHEMBL5255	O00206	Toll-like receptor 4	82.83%	92.50%
CHEMBL1907602	P06493	Cyclin-dependent kinase 1/cyclin B1	82.35%	91.24%
CHEMBL335	P18031	Protein-tyrosine phosphatase 1B	81.57%	95.17%
CHEMBL2274	Q9H228	Sphingosine 1-phosphate receptor Edg-8	81.24%	100.00%
CHEMBL3976	Q9UHL4	Dipeptidyl peptidase II	81.19%	92.29%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	81.14%	90.71%
CHEMBL256	P0DMS8	Adenosine A3 receptor	80.68%	95.93%
CHEMBL1944495	P28065	Proteasome subunit beta type-9	80.35%	97.50%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 9898642
• LOTUS: LTS0077410
• wikiData: Q27135594