Structure database (LMSD)Return to Databases Overview
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| LM ID | LMGP01011726 | |||||||||||||||||||||||||||
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| Common Name | PC(18:4(6Z,9Z,12Z,15Z)/22:0) | |||||||||||||||||||||||||||
| Systematic Name | 1-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-2-docosanoyl-glycero-3-phosphocholine | |||||||||||||||||||||||||||
| Synonyms | PC(40:4); PC(18:4_22:0) | |||||||||||||||||||||||||||
| Exact Mass | ||||||||||||||||||||||||||||
| Formula | C48H88NO8P | |||||||||||||||||||||||||||
| Category | Glycerophospholipids [GP] | |||||||||||||||||||||||||||
| Main Class | Glycerophosphocholines [GP01] | |||||||||||||||||||||||||||
| Sub Class | Diacylglycerophosphocholines [GP0101] | |||||||||||||||||||||||||||
| Abbrev | PC 40:4 | |||||||||||||||||||||||||||
| Abbrev Chains | PC 18:4_22:0 | |||||||||||||||||||||||||||
| PubChem CID | 52922931 | |||||||||||||||||||||||||||
| HMDB ID | HMDB0008249 | |||||||||||||||||||||||||||
| SWISSLIPIDS ID | SLM:000010982 | |||||||||||||||||||||||||||
| InChIKey | KISSKTFZLUEROR-MNPIPRPGSA-N Show lipids differing only in stereochemistry/bond geometry | |||||||||||||||||||||||||||
| InChI |
InChI=1S/C48H88NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,26,30,32,46H,6-8,10,12-14,16,18-20,22-25,27-29,31,33-45H2,1-5H3/b11-9-,17-15-,26-21-,32-30-/t46-/m1/s1
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| SMILES |
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)=O
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| 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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