Structure database (LMSD)Return to Databases Overview
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| LM ID | LMGP10010931 | |||||||||||||||||||||||||||
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| Common Name | PA(14:0/16:1(9Z)) | |||||||||||||||||||||||||||
| Systematic Name | 1-tetradecanoyl-2-(9Z-hexadecenoyl)-glycero-3-phosphate | |||||||||||||||||||||||||||
| Synonyms | PA(30:1); PA(14:0_16:1) | |||||||||||||||||||||||||||
| Exact Mass | ||||||||||||||||||||||||||||
| Formula | C33H63O8P | |||||||||||||||||||||||||||
| Category | Glycerophospholipids [GP] | |||||||||||||||||||||||||||
| Main Class | Glycerophosphates [GP10] | |||||||||||||||||||||||||||
| Sub Class | Diacylglycerophosphates [GP1001] | |||||||||||||||||||||||||||
| Abbrev | PA 30:1 | |||||||||||||||||||||||||||
| Abbrev Chains | PA 14:0_16:1 | |||||||||||||||||||||||||||
| PubChem CID | 52929520 | |||||||||||||||||||||||||||
| CHEBI ID | 137451 | |||||||||||||||||||||||||||
| SWISSLIPIDS ID | SLM:000026966 | |||||||||||||||||||||||||||
| InChIKey | ALDWDBNWDITVID-UFOOELKISA-N Show lipids differing only in stereochemistry/bond geometry | |||||||||||||||||||||||||||
| InChI |
InChI=1S/C33H63O8P/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-33(35)41-31(30-40-42(36,37)38)29-39-32(34)27-25-23-21-19-17-14-12-10-8-6-4-2/h13,15,31H,3-12,14,16-30H2,1-2H3,(H2,36,37,38)/b15-13-/t31-/m1/s1
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| SMILES |
[C@](COP(=O)(O)O)([H])(OC(CCCCCCC/C=C\CCCCCC)=O)COC(CCCCCCCCCCCCC)=O
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| MS Spectra | View MoNA MS spectra Predict MS/MS spectrum (Neg. mode) | |||||||||||||||||||||||||||
| Status | Active (generated by computational methods) | |||||||||||||||||||||||||||
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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. |
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