Structure database (LMSD)Return to Databases Overview
|
| ||||||||||||||||||||||||||||
| LM ID | LMGP03010036 | |||||||||||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Common Name | PS(18:0/18:0) | |||||||||||||||||||||||||||
| Systematic Name | 1,2-dioctadecanoyl-sn-glycero-3-phosphoserine | |||||||||||||||||||||||||||
| Synonyms | Distearoyl phosphatidylserine; L-Serine, 2,3-bis[(1-oxooctadecyl)oxy]propyl ester, dihydrogen phosphate (ester), (R)-; Dioctadecanoylphosphatidylserine; PS(36:0); PS(18:0/18:0) | |||||||||||||||||||||||||||
| Exact Mass | ||||||||||||||||||||||||||||
| Formula | C42H82NO10P | |||||||||||||||||||||||||||
| Category | Glycerophospholipids [GP] | |||||||||||||||||||||||||||
| Main Class | Glycerophosphoserines [GP03] | |||||||||||||||||||||||||||
| Sub Class | Diacylglycerophosphoserines [GP0301] | |||||||||||||||||||||||||||
| Abbrev | PS 36:0 | |||||||||||||||||||||||||||
| Abbrev Chains | PS 18:0/18:0 | |||||||||||||||||||||||||||
| LIPIDAT ID | 9986 | |||||||||||||||||||||||||||
| PubChem CID | 9547096 | |||||||||||||||||||||||||||
| HMDB ID | HMDB0012378 | |||||||||||||||||||||||||||
| CHEBI ID | 84519 | |||||||||||||||||||||||||||
| SWISSLIPIDS ID | SLM:000005403 | |||||||||||||||||||||||||||
| InChIKey | TZCPCKNHXULUIY-RGULYWFUSA-N Show lipids differing only in stereochemistry/bond geometry | |||||||||||||||||||||||||||
| InChI |
InChI=1S/C42H82NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38-39H,3-37,43H2,1-2H3,(H,46,47)(H,48,49)/t38-,39+/m1/s1
Click to highlight InChI
|
|||||||||||||||||||||||||||
| SMILES |
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCC)=O)(=O)O
Click to highlight SMILES
|
|||||||||||||||||||||||||||
| MS Spectra | View MoNA MS spectra Predict MS/MS spectrum (Neg. mode) | |||||||||||||||||||||||||||
| Status | Active | |||||||||||||||||||||||||||
| ||||||||||||||||||||||||||||
| ||||||||||||||||||||||||||||
|
LIPID MAPS® abbreviations for glycerophospholipids (GP) The LIPID MAPS® glycerophospholipid abbreviations (PC, PE, etc.) are used here to refer to species with one or two radyl side-chains where the structures of the side chains are indicated within parentheses in the 'Headgroup(sn1/sn2)' format (e.g. PC(16:0/18:1(9Z)). By default, R stereochemistry at the C-2 carbon of glycerol and attachment of the headgroup at the sn3 position is assumed. Also, acyl chains are assumed by default. The 'O-' prefix is used to indicate the presence of an alkyl ether substituent e.g. PC(O-16:0/18:1(9Z)), whereas the 'P-' prefix is used for the 1Z-alkenyl ether (Plasmalogen) substituent e.g. PC(P-16:0/18:1(9Z)). For molecules with opposite (S) stereochemistry at C2 of the glycerol group and attachment of the headgroup at the sn1 position, the stereochemistry specification of [S] is appended to the abbreviation. The 'Headgroup(sn3/sn2)' abbreviation format is used. For molecules with unknown stereochemistry at the C-2 carbon of the glycerol group, the stereochemistry specification of [U] is appended to the abbreviation and the structure is drawn with C-2 stereochemistry unspecified. |
||||||||||||||||||||||||||||