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LM ID | LMGP03010040 | |||||||||||||||||||||||||||
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Common Name | PS(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) | |||||||||||||||||||||||||||
Systematic Name | 1-octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3- phosphoserine | |||||||||||||||||||||||||||
Synonyms | PS(18:0/22:6); PS(40:6); PS(18:0_22:6) | |||||||||||||||||||||||||||
Exact Mass | ||||||||||||||||||||||||||||
Formula | C46H78NO10P | |||||||||||||||||||||||||||
Category | Glycerophospholipids [GP] | |||||||||||||||||||||||||||
Main Class | Glycerophosphoserines [GP03] | |||||||||||||||||||||||||||
Sub Class | Diacylglycerophosphoserines [GP0301] | |||||||||||||||||||||||||||
PubChem CID | 24779546 | |||||||||||||||||||||||||||
HMDB ID | HMDB0010167 | |||||||||||||||||||||||||||
SWISSLIPIDS ID | SLM:000006151 | |||||||||||||||||||||||||||
InChIKey | LYYHRRPTEXPVOR-SYEOQEKUSA-N Show lipids differing only in stereochemistry/bond geometry | |||||||||||||||||||||||||||
InChI | InChI=1S/C46H78NO10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38- 45(49)57-42(40-55-58(52,53)56-41-43(47)46(50)51)39-54-44(48)37-35-33-31-29-27-25 -23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,26,28,32,34,42-43H,3-4,6,8-10, 12,14-16,18,20,23-25,27,29-31,33,35-41,47H2,1-2H3,(H,50,51)(H,52,53)/b7-5-,13-11 -,19-17-,22-21-,28-26-,34-32-/t42-,43+/m1/s1 | |||||||||||||||||||||||||||
SMILES | C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC) =O)COC(CCCCCCCCCCCCCCCCC)=O)(=O)O | |||||||||||||||||||||||||||
MS Spectra | View MoNA MS spectra Predict MS/MS spectrum (Neg. mode) | |||||||||||||||||||||||||||
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. |