Structure database (LMSD)

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LM IDLMSP06030002
Common NameGlcAβ-Cer(d18:0/14:0)
Systematic NameN-(tetradecanoyl)-1-β-glucuronosyl-sphinganine
SynonymsN-(myristoyl)-1-β-glucuronosyl-sphinganine
Exact Mass
687.5285 (neutral)    Calculate m/z:
FormulaC38H73NO9
CategorySphingolipids [SP]
Main ClassAcidic glycosphingolipids [SP06]
Sub ClassGlucuronosphingolipids [SP0603]
PubChem CID-
InChIKeyIRPOZWRRAFKYMQ-VYVXADQWSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C38H73NO9/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-31(40)30(29-47-38-35(44)33(42)34(43)36(48-38)37(45)46)39-32(41)28-26-24-22-20-17-14-12-10-8-6-4-2/h30-31,33-36,38,40,42-44H,3-29H2,1-2H3,(H,39,41)(H,45,46)/t30-,31+,33-,34-,35+,36-,38+/m0/s1
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SMILES
O=C(CCCCCCCCCCCCC)N[C@@]([H])(CO[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O1)[C@@](O)([H])CCCCCCCCCCCCCCC
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StatusActive
ReferencesTwo bacterial glycosphingolipid synthases responsible for the synthesis of glucuronosylceramide and α-galactosylceramide.
J Biol Chem, 2020
DOI: 10.1074/jbc.ra120.013796
PMID: 32518167
Calculated physicochemical properties (?):
 Heavy Atoms48Rings1Aromatic Rings0Rotatable Bonds32
 van der Waals
Molecular Volume
738.43Topological Polar
Surface Area
167.85Hydrogen
Bond Donors
6Hydrogen
Bond Acceptors
10
 logP9.21Molar
Refractivity
193.67