Structure database (LMSD)Return to Databases Overview
| ||||||||||||||||||||||||||||
LM ID | LMGP01012130 | |||||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Common Name | PC(14:0/22:5(4Z,7Z,10Z,13Z,16Z)) | |||||||||||||||||||||||||||
Systematic Name | 1-tetradecanoyl-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-sn-glycero-3- phosphocholine | |||||||||||||||||||||||||||
Synonyms | PC(36:5); PC(14:0_22:5) | |||||||||||||||||||||||||||
Exact Mass | ||||||||||||||||||||||||||||
Formula | C44H78NO8P | |||||||||||||||||||||||||||
Category | Glycerophospholipids [GP] | |||||||||||||||||||||||||||
Main Class | Glycerophosphocholines [GP01] | |||||||||||||||||||||||||||
Sub Class | Diacylglycerophosphocholines [GP0101] | |||||||||||||||||||||||||||
Abbrev | PC 36:5 | |||||||||||||||||||||||||||
Abbrev Chains | PC 14:0_22:5 | |||||||||||||||||||||||||||
PubChem CID | 53478611 | |||||||||||||||||||||||||||
HMDB ID | HMDB0007890 | |||||||||||||||||||||||||||
YMDB ID | YMDB01824 | |||||||||||||||||||||||||||
CHEBI ID | 89583 | |||||||||||||||||||||||||||
SWISSLIPIDS ID | SLM:000013940 | |||||||||||||||||||||||||||
InChIKey | MGUTYWPZCZBAGE-JZDIRDTQSA-N Show lipids differing only in stereochemistry/bond geometry | |||||||||||||||||||||||||||
InChI |
InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h14,16,19-20,22-23,25,27,31,33,42H,6-13,15,17-18,21,24,26,28-30,32,34-41H2,1-5H3/b16-14-,20-19-,23-22-,27-25-,33-31-/t42-/m1/s1
Click to highlight InChI
|
|||||||||||||||||||||||||||
SMILES |
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)COC(CCCCCCCCCCCCC)=O
Click to highlight SMILES
|
|||||||||||||||||||||||||||
Status | Active | |||||||||||||||||||||||||||
Comments | Yeast Metabolome Database (http://www.ymdb.ca) | |||||||||||||||||||||||||||
| ||||||||||||||||||||||||||||
| ||||||||||||||||||||||||||||
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. |