Structure Database (LMSD)

Common Name
C17 Sphinganine-1-phosphate
Systematic Name
heptadecasphinganine-1-phosphate
Synonyms
LM ID
LMSP01050008
Status
Active
Exact Mass
Calculate m/z
367.248762
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
RTCZJPCPBSBOKB-DLBZAZTESA-N
InChi (Click to copy)
InChI=1S/C17H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(19)16(18)15-23-24(20,21)22/h16-17,19H,2-15,18H2,1H3,(H2,20,21,22)/t16-,17+/m0/s1
SMILES (Click to copy)
P(OC[C@]([H])(N)[C@]([H])(O)CCCCCCCCCCCCCC)(=O)(O)O

References

Other Databases

PubChem CID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 377.44
Topological Polar Surface Area 113.01
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 5
logP 5.07
Molar Refractivity 98.91

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Created at
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Updated at
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