CerP(d18:1/24:0)
Basic information
- Standard SMILES
CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)(O)O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCC- InChIKey
SEEJZRCEDNOVGA-AUTSUKAISA-N- Molecular formula
- C42H84NO6P
- Average molar mass
- 730.1 g/mol
- Monoisotopic mass
- 729.6036264
Overview
N-tetracosanoylsphingosine 1-phosphate is a ceramide 1-phosphate that is N-tetracosanoyl derivative of sphingosine. It is functionally related to a sphingosine and a tetracosanoic acid. It is a conjugate acid of a N-tetracosanoylsphingosine 1-phosphate(2-).
Names & identifiers
- Preferred name
- CerP(d18:1/24:0)
- IUPAC
- [(E,2S,3R)-3-hydroxy-2-(tetracosanoylamino)octadec-4-enyl] dihydrogen phosphate
Names & synonyms
CerP(d18:1/24:0)N-(tetracosanoyl)-sphing-4-enine-1-phosphateC24 CerP[(E,2S,3R)-3-hydroxy-2-(tetracosanoylamino)octadec-4-enyl] dihydrogen phosphateN-tetracosanoylsphingosine 1-phosphateLMSP02050008C24 Ceramide-1-PhosphateCerP 42:1;O2SCHEMBL29949576CHEBI:73137SEEJZRCEDNOVGA-AUTSUKAISA-NDTXSID501370299
Show more names
CerP 18:1;2O/24:0N-(tetracosanoyl)sphing-4-enine 1-phosphateQ27140334(2S,3R,4E)-3-hydroxy-2-(tetracosanoylamino)octadec-4-en-1-yl dihydrogen phosphate
Database identifiers
- PubChem CID
- 5283587
- DTXSID
DTXSID501370299- ChEBI
CHEBI:73137
Properties
Computed structural properties
- XLogP
- 16.1
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 40
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 788
Experimental & physicochemical properties
LipidsLipids -> Sphingolipids [SP] -> Ceramides [SP02] -> Ceramide 1-phosphates [SP0205]
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Tissue LocationsAll Tissues
Cellular LocationsExtracellular
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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