Structure Database (LMSD)

Common Name
Archaetidylglycerol-myo-inositol
Systematic Name
1,2-diphytanyl-sn-glycero-3-phospho-(1'-myo-inositol)
Synonyms
  • AI
LM ID
LMGP06040001
Status
Active
Exact Mass
Calculate m/z
908.708153
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
LCPNBBKHDCJGGO-RMAOHBAISA-N
InChi (Click to copy)
InChI=1S/C50H101O11P/c1-11-37(4)19-13-21-39(6)23-15-25-41(8)27-17-29-43(10)31-33-59-44(35-60-62(56,57)61-50-48(54)46(52)45(51)47(53)49(50)55)34-58-32-30-42(9)28-16-26-40(7)24-14-22-38(5)20-12-18-36(2)3/h36-55H,11-35H2,1-10H3,(H,56,57)/t37?,38-,39-,40-,41-,42-,43-,44-,45-,46-,47+,48-,49-,50-/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)([H])(OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)CC)COCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C

References

Reference
A novel phosphoglycolipid archaetidyl(glucosyl)inositol
with two sesterterpanyl chains from
the aerobic hyperthermophilic archaeon Aeropyrum pernix K1
H.Moriia et al.
Biochimica et Biophysica Acta (BBA) - Molecular and Cell Biology of Lipids
Volume 1436, Issue 3, (1999)

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Aeropyrum pernix K1 (#272557)
Thermoprotei (#183924)
A novel phosphoglycolipid archaetidyl(glucosyl)inositol with two sesterterpanyl chains from the aerobic hyperthermophilic archaeon Aeropyrum pernix K1.,
Biochim Biophys Acta, 1999
Pubmed ID: 9989273

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 62
Rings 1
Aromatic Rings 0
Rotatable Bonds 39
Van der Waals Molecular Volume 977.72
Topological Polar Surface Area 175.37
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 11
logP 14.34
Molar Refractivity 258.27

Admin

Created at
-
Updated at
26th Jul 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.