Structure database (LMSD)Return to Databases Overview
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LM ID | LMGP01010564 | |||||||||||||||||||||||||||
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Common Name | PC(16:0/16:0) (W) | |||||||||||||||||||||||||||
Systematic Name | 1,2-dihexadecanoyl-sn-glycero-3-phosphocholine | |||||||||||||||||||||||||||
Synonyms | Dipalmitoyl phosphatidylcholine; Dipalmitoyl-phosphatidylcholine; 1,2- dipalmitoyl-sn-glycero-3-phosphocholine; 1,2-Dipalmitoyl-3-sn- phosphatidylcholine; 1,2-Dipalmitoyl-L-lecithin; DPPC; PC(32:0); PC(16:0_16:0) | |||||||||||||||||||||||||||
Exact Mass | ||||||||||||||||||||||||||||
Formula | C40H80NO8P | |||||||||||||||||||||||||||
Category | Glycerophospholipids [GP] | |||||||||||||||||||||||||||
Main Class | Glycerophosphocholines [GP01] | |||||||||||||||||||||||||||
Sub Class | Diacylglycerophosphocholines [GP0101] | |||||||||||||||||||||||||||
Abbrev | PC 32:0 | |||||||||||||||||||||||||||
Abbrev Chains | PC 16:0_16:0 | |||||||||||||||||||||||||||
LIPIDAT ID | 9089 | |||||||||||||||||||||||||||
PubChem CID | 452110 | |||||||||||||||||||||||||||
HMDB ID | HMDB0000564 | |||||||||||||||||||||||||||
CHEBI ID | 72999 | |||||||||||||||||||||||||||
SWISSLIPIDS ID | SLM:000000505 | |||||||||||||||||||||||||||
CAYMAN ID | 30261 | |||||||||||||||||||||||||||
InChIKey | KILNVBDSWZSGLL-KXQOOQHDSA-N Show lipids differing only in stereochemistry/bond geometry | |||||||||||||||||||||||||||
InChI |
InChI=1S/C40H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h38H,6-37H2,1-5H3/t38-/m1/s1
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SMILES |
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O
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MS Spectra | View MoNA MS spectra Predict MS/MS spectrum (Neg. mode) | |||||||||||||||||||||||||||
Ion mobility | View Ion mobility data | |||||||||||||||||||||||||||
MS Standard | View lipid standard | |||||||||||||||||||||||||||
Status | Active | |||||||||||||||||||||||||||
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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. |