CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Solid |
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Solubility | Insoluble |
Collision Cross Section | 268.78 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Sample Type: Human bronchoalveolar lavage fluid (BALF); Dataset: Sphingolipids] 276.32 Ų [M+HCOO]- [CCS Type: DT; Buffer gas: N2; Sample Type: Human bronchoalveolar lavage fluid (BALF); Dataset: Sphingolipids] 279.73 Ų [M+CH3COO]- [CCS Type: DT; Buffer gas: N2; Sample Type: Human bronchoalveolar lavage fluid (BALF); Dataset: Sphingolipids] |
Chemical Classes | Lipids -> Sphingolipids |
COMPUTED DESCRIPTORS
Molecular Weight | 648.1 g/mol |
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XLogP3 | 16.3 |
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 3 |
Rotatable Bond Count | 37 |
Exact Mass | 647.62164545 g/mol |
Monoisotopic Mass | 647.62164545 g/mol |
Topological Polar Surface Area | 69.6 Ų |
Heavy Atom Count | 46 |
Formal Charge | 0 |
Complexity | 661 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 2 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 2 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
N-(15Z)-tetracosenoylsphingosine is an N-tetracosenoylsphingosine in which the double bond in the ceramide acyl group is located at position 15 (the Z-geoisomer. It has a role as a mouse metabolite. It is a N-tetracosenoylsphingosine and a Cer(d42:2). It is functionally related to a (15Z)-tetracosenoic acid.