Structure Database (LMSD)

OH O HO O P O OH OH O HO OH OH OH HO HO OH O HO P O O H OH O NH H OH OH OH O HO
Common Name
M(IP)2C(t18:0/26:0(2OH))
Systematic Name
N-(2-hydroxy-hexacosanoyl)-4R-hydroxysphinganine-1-O-[inositol-1-phosphoryl-6-mannosyl-α1-2-inositol-1-phosphate]
Synonyms
  • M(IP)2C
  • Ins-1-P-6-Man-alpha1-2-Ins-1-P-Cer(t18:0/26:0(2OH))
  • PI-6-Man-alpha1-2-PI-Cer(t18:0/26:0(2OH))
LM ID
LMSP03030003
Formula
Exact Mass
Calculate m/z
1357.765215
Sum Composition
Abbrev Chains
M(IP)2C 18:0;O3/26:0;O
Status
Active

Main

Classification

String Representations

InChiKey (Click to copy)
DBKQSCMOMGQYBE-CLKAGNPJSA-N
InChi (Click to copy)
InChI=1S/C62H121NO26P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-43(65)61(79)63-41(45(66)42(64)37-35-33-31-29-27-16-14-12-10-8-6-4-2)39-84-90(80,81)89-60-56(77)52(73)51(72)55(76)59(60)87-62-57(78)47(68)46(67)44(86-62)40-85-91(82,83)88-58-53(74)49(70)48(69)50(71)54(58)75/h41-60,62,64-78H,3-40H2,1-2H3,(H,63,79)(H,80,81)(H,82,83)/t41-,42+,43?,44+,45-,46+,47-,48-,49-,50+,51-,52-,53+,54+,55+,56+,57-,58-,59+,60-,62+/m0/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](COP(O[C@@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)(=O)O)O1)(=O)O)([H])(NC(=O)C(O)CCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(O)[C@H](O)CCCCCCCCCCCCCC

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Saccharomyces cerevisiae (#4932)
Saccharomycetes (#4891)
Mutant strains of Saccharomyces cerevisiae lacking sphingolipids synthesize novel inositol glycerophospholipids that mimic sphingolipid structures.,
J Biol Chem, 1993
Pubmed ID: 8419362

Other Databases

PubChem CID
SwissLipids ID

Calculated Physicochemical Properties

Heavy Atoms 91
Rings 3
Aromatic Rings 0
Rotatable Bonds 52
Van der Waals Molecular Volume 1320.64
Topological Polar Surface Area 464.60
Hydrogen Bond Donors 18
Hydrogen Bond Acceptors 27
logP 11.03
Molar Refractivity 345.88

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Created at
-
Updated at
18th Aug 2021