4-hydroxysphinganine-1-phosphate (Saccharomyces Cerevisiae) - ≥99% , CAS No.383908-62-1

CAS: 383908-62-1 Cat. No.: H130605 Molecular Weight: 397.487 PubChem CID: 10883829

GRADE & PURITY ≥99%

Synonyms

phytosphingosine 1-phosphate|d-ribo Phytosphingosine 1-Phosphate|38597-28-3|PhS1P|[(2S,3S,4R)-2-amino-3,4-dihydroxyoctadecyl] dihydrogen phosphate|(2S,3S,4R)-2-amino-3,4-dihydroxyoctadecyl dihydrogen phosphate|phytoS1P|4-D-Hydroxysphinganine 1-Phosphate|D

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

phytosphingosine 1-phosphate | d-ribo Phytosphingosine 1-Phosphate | 38597-28-3 | PhS1P | [(2S, 3S, 4R)-2-amino-3, 4-dihydroxyoctadecyl] dihydrogen phosphate | (2S, 3S, 4R)-2-amino-3, 4-dihydroxyoctadecyl dihydrogen phosphate | phytoS1P | 4-D-Hydroxysphinganine 1-Phosphate | D

Specifications & Purity

≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CCCCCCCCCCCCCCC(C(C(COP(=O)(O)O)N)O)O
• IUPAC Name: [(2S,3S,4R)-2-amino-3,4-dihydroxyoctadecyl] dihydrogen phosphate
• InChIKey: AYGOSKULTISFCW-KSZLIROESA-N
• INCHI: 1S/C18H40NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(20)18(21)16(19)15-25-26(22,23)24/h16-18,20-21H,2-15,19H2,1H3,(H2,22,23,24)/t16-,17+,18-/m0/s1
• Isomeric SMILES: CCCCCCCCCCCCCC[C@H]([C@H]([C@H](COP(=O)(O)O)N)O)O
• PubChem CID: 10883829
• Molecular Weight: 397.487

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: Phosphoethanolamines Monoalkyl phosphates 1,3-aminoalcohols Secondary alcohols 1,2-diols 1,2-aminoalcohols Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Sphingoid-1-phosphate or derivatives - Phosphoethanolamine - Monoalkyl phosphate - Alkyl phosphate - Organic phosphoric acid derivative - Phosphoric acid ester - 1,3-aminoalcohol - 1,2-diol - 1,2-aminoalcohol - Secondary alcohol - Organopnictogen compound - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Primary aliphatic amine - Amine - Alcohol - Hydrocarbon derivative - Organic oxide - 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: Sphingoid base 1-phosphates

Data sources

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

Associated Targets(Human)

S1PR4 Tclin Sphingosine 1-phosphate receptor 4 (0 Activities)

Discover Target: S1PR4

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Chemical and Physical Properties

• Molecular Weight: 397.500 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 18
• Exact Mass: 397.259 Da
• Monoisotopic Mass: 397.259 Da
• Topological Polar Surface Area: 133.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 366.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1