Structure Database (LMSD)
Common Name
C16 Sphinganine-1-phosphate
Systematic Name
Hexadecaphinganine-1-phosphate
Synonyms
LM ID
LMSP01050006
Formula
Exact Mass
Calculate m/z
353.233112
Sum Composition
Status
Active
3D model of C16 Sphinganine-1-phosphate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Homo sapiens
(#9606)
Mammalia
(#40674)
Lipidomics reveals a remarkable diversity of lipids in human plasma,
J Lipid Res, 2010
J Lipid Res, 2010
Pubmed ID:
20671299
DOI:
10.1194/jlr.M009449
String Representations
InChiKey (Click to copy)
CZIKRZNENJXZEE-JKSUJKDBSA-N
InChi (Click to copy)
InChI=1S/C16H36NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(18)15(17)14-22-23(19,20)21/h15-16,18H,2-14,17H2,1H3,(H2,19,20,21)/t15-,16+/m0/s1
SMILES (Click to copy)
OP(OC[C@]([H])(N)[C@]([H])(O)CCCCCCCCCCCCC)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
23
Rings
0
Aromatic Rings
0
Rotatable Bonds
16
Van der Waals Molecular Volume
360.14
Topological Polar Surface Area
113.01
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
5
logP
4.68
Molar Refractivity
94.30
Admin
Created at
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Updated at
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