Structure Database (LMSD)
Common Name
Archaetidylglycerol-(glycosyl)-myo-inositol
Systematic Name
1,2-diphytanyl-sn-glycero-3-phospho-(6'-(α-D-glucosyl)-1'-myo-inositol)
Synonyms
3D model of Archaetidylglycerol-(glycosyl)-myo-inositol
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
PYHOBIFYWFTQHK-FJFHMUESSA-N
InChi (Click to copy)
InChI=1S/C55H109O16P/c1-36(2)17-11-19-38(5)21-13-23-40(7)25-15-27-42(9)29-31-66-34-44(67-32-30-43(10)28-16-26-41(8)24-14-22-39(6)20-12-18-37(3)4)35-68-72(64,65)71-54-51(62)49(60)48(59)50(61)53(54)70-55-52(63)47(58)46(57)45(33-56)69-55/h36-63H,11-35H2,1-10H3,(H,64,65)/t38-,39-,40-,41-,42-,43-,44-,45-,46-,47+,48+,49+,50-,51-,52-,53-,54+,55-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)([H])(OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)COCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
72
Rings
2
Aromatic Rings
0
Rotatable Bonds
41
Van der Waals Molecular Volume
1095.81
Topological Polar Surface Area
256.59
Hydrogen Bond Donors
9
Hydrogen Bond Acceptors
16
logP
13.49
Molar Refractivity
289.33
Admin
Created at
-
Updated at
5th Aug 2021
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.
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.