Structure Database (LMSD)

Common Name
C17 Sphinganine-1-phosphate
Systematic Name
heptadecasphinganine-1-phosphate
Synonyms
LM ID
LMSP01050008
Formula
C17H38NO5P
Exact Mass
Calculate m/z
367.248762
Sum Composition
SPBP 17:0;O2
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

Biological Context

Sphinganine-1-phosphate (d17:0) is a sphingolipid analog of sphinganine-1-phosphate (d18:0) and sphingosine-1-phosphate (d18:1) that has a 17-carbon base. Sphinganine-1-phosphate (d17:0) levels are lower in surgical and cadaver trabecular meshwork samples isolated from patients with primary open angle glaucoma compared with control samples.1

This information has been provided by Cayman Chemical

References

1. Aljohani, A.J., Edwards, G., Guerra, Y., et al. Human trabecular meshwork sphingolipid and ceramide profiles and potential latent fungal commensalism. Invest. Ophthalmol. Vis. Sci. 55(6), 3413-3422 (2014).

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

Other Databases

PubChem CID
3247041
Cayman ID
22501

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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Updated at
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