Structure Database (LMSD)
Common Name
LPIM1(17:0/0:0)
Systematic Name
2'-O-(α-D-Manp)-(1-heptadecanoyl-sn-glycero-3-phospho-1'-myo-inositol)
Synonyms
- LPIM1(17:0)
- LPIM1(17:0)
LM ID
LMGP15040002
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
748.364643
Formula
Abbrev
Abbrev Chains
LPIM1 17:0
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
CVGLJOAABQZSJH-AVUDYXIUSA-N
InChi (Click to copy)
InChI=1S/C32H61O17P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22(35)45-18-20(34)19-46-50(43,44)49-31-28(41)26(39)25(38)27(40)30(31)48-32-29(42)24(37)23(36)21(17-33)47-32/h20-21,23-34,36-42H,2-19H2,1H3,(H,43,44)/t20-,21-,23-,24+,25+,26+,27-,28+,29+,30+,31+,32-/m1/s1
SMILES (Click to copy)
[C@](COP(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)(=O)O)([H])(O)COC(CCCCCCCCCCCCCCCC)=O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Mycobacterium tuberculosis
(#1773)
Actinomycetia
(#1760)
Lipidomic analyses of Mycobacterium tuberculosis based on accurate mass measurements and the novel "Mtb LipidDB".,
J Lipid Res, 2011
J Lipid Res, 2011
Pubmed ID:
21285232
DOI:
10.1194/jlr.M010363
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
50
Rings
2
Aromatic Rings
0
Rotatable Bonds
26
Van der Waals Molecular Volume
704.06
Topological Polar Surface Area
284.66
Hydrogen Bond Donors
10
Hydrogen Bond Acceptors
17
logP
4.37
Molar Refractivity
182.69
Admin
Created at
-
Updated at
25th Apr 2022
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.