Structure database (LMSD)Return to Databases Overview
| ||||||||||||||||||||||||||||
LM ID | LMGP10010027 | |||||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Common Name | PA(16:0/16:0) | |||||||||||||||||||||||||||
Systematic Name | 1,2-dihexadecanoyl-sn-glycero-3-phosphate | |||||||||||||||||||||||||||
Synonyms | Dipalmitoyl phosphatidic acid; Hexadecanoic acid, 1-[(phosphonooxy)methyl]-1,2- ethanediyl ester, (R)-; Palmitin, 1,2-di-, dihydrogen phosphate, L-; 1,2- Dipalmitoyl-3-sn-phosphatidic acid; 1,2-Dipalmitoyl-sn-glycerol 3-phosphate; 1, 2-Dipalmitoyl-sn-glycerol-3-phosphoric acid; Dipalmitoyl; PA(32:0); PA(16:0_16:0) | |||||||||||||||||||||||||||
Exact Mass | ||||||||||||||||||||||||||||
Formula | C35H69O8P | |||||||||||||||||||||||||||
Category | Glycerophospholipids [GP] | |||||||||||||||||||||||||||
Main Class | Glycerophosphates [GP10] | |||||||||||||||||||||||||||
Sub Class | Diacylglycerophosphates [GP1001] | |||||||||||||||||||||||||||
Abbrev | PA 32:0 | |||||||||||||||||||||||||||
Abbrev Chains | PA 16:0_16:0 | |||||||||||||||||||||||||||
LIPIDAT ID | 8301 | |||||||||||||||||||||||||||
PubChem CID | 446066 | |||||||||||||||||||||||||||
HMDB ID | HMDB0000674 | |||||||||||||||||||||||||||
CHEBI ID | 73246 | |||||||||||||||||||||||||||
SWISSLIPIDS ID | SLM:000000808 | |||||||||||||||||||||||||||
InChIKey | PORPENFLTBBHSG-MGBGTMOVSA-N Show lipids differing only in stereochemistry/bond geometry | |||||||||||||||||||||||||||
InChI |
InChI=1S/C35H69O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(36)41-31-33(32-42-44(38,39)40)43-35(37)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33H,3-32H2,1-2H3,(H2,38,39,40)/t33-/m1/s1
Click to highlight InChI
|
|||||||||||||||||||||||||||
SMILES |
[C@](COP(=O)(O)O)([H])(OC(CCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCC)=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. |