LIPID MAPS

Structure Database (LMSD)

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Common Name

C17 Sphingosine-1-phosphate

Systematic Name

heptadecasphing-4-enine-1-phosphate

Synonyms

(2S,3R,4E)-2-aminoheptadec-4-ene-1,3-diol-1-phosphate

LM ID

LMSP01050007

Formula

C₁₇H₃₆NO₅P

Exact Mass

Calculate m/z

365.233112

Sum Composition

SPBP 17:1;O2

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

String Representations

InChiKey (Click to copy)

VITGNIYTXHNNNE-LHMZYYNSSA-N

InChi (Click to copy)

InChI=1S/C17H36NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(19)16(18)15-23-24(20,21)22/h13-14,16-17,19H,2-12,15,18H2,1H3,(H2,20,21,22)/b14-13+/t16-,17+/m0/s1

SMILES (Click to copy)

P(OC[C@]([H])(N)[C@]([H])(O)/C=C/CCCCCCCCCCCC)(=O)(O)O

Other Databases

CHEBI ID

184163

PubChem CID

5283559

Cayman ID

22498

Avanti ID

LM2144

Calculated Physicochemical Properties

Heavy Atoms 24

Rings 0

Aromatic Rings 0

Rotatable Bonds 16

Van der Waals Molecular Volume 374.80

Topological Polar Surface Area 113.01

Hydrogen Bond Donors 4

Hydrogen Bond Acceptors 5

logP 4.85

Molar Refractivity 98.82

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