Structure Database (LMSD)

H H OH OH H 2 N O O HO P
Common Name
C16 Sphinganine-1-phosphate
Systematic Name
Hexadecaphinganine-1-phosphate
Synonyms
LM ID
LMSP01050006
Formula
C16H36NO5P
Exact Mass
Calculate m/z
353.233112
Sum Composition
SPBP 16:0;O2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Sphingolipids [SP]
Sphingoid bases [SP01]
Sphingoid base 1-phosphates [SP0105]

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

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
Pubmed ID: 20671299

Other Databases

CHEBI ID
187123
PubChem CID
52931111

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

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Created at
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Updated at
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