MassBank Record: MSBNK-UOEH-UO000027
ACCESSION: MSBNK-UOEH-UO000027
RECORD_TITLE: 2,3-di-O-Sesterterpanyl-sn-glycerol-1-phospho-myo-inositol; FAB-B; MS
DATE: 2016.01.19 (Created 2009.06.19, modified 2011.05.06)
AUTHORS: Hiroyuki Morii, Department of Environmental Management, and Chemistry, University of Occupational and Environmental Health
LICENSE: CC BY-SA
PUBLICATION: Morii, H., Yagi, H., Akutsu, H., Nomura, N., Sako, Y., and Koga, Y. 1999 A novel phosphoglycolipid archaetidyl(glucosyl)inositol with two sesterterpanyl chains from the aerobic hyperthermophilic archaeon Aeropyrum pernix K1 Biochim.Biophys.Acta ,1436 : 426-436
CH$NAME: 2,3-di-O-Sesterterpanyl-sn-glycerol-1-phospho-myo-inositol
CH$NAME: C25,C25-archaetidylinositol
CH$COMPOUND_CLASS: Glycerophospholipids; Glycerophosphoinositols; Dialkylglycerophosphoinositols
CH$FORMULA: C59H119O11P
CH$EXACT_MASS: 1034.84900
CH$SMILES: CC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(CO[P](O)(=O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)O)O)O)OCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)C
CH$IUPAC: InChI=1S/C59H119O11P/c1-43(2)21-13-23-45(5)25-15-27-47(7)29-17-31-49(9)33-19-35-51(11)37-39-67-41-53(42-69-71(65,66)70-59-57(63)55(61)54(60)56(62)58(59)64)68-40-38-52(12)36-20-34-50(10)32-18-30-48(8)28-16-26-46(6)24-14-22-44(3)4/h43-64H,13-42H2,1-12H3,(H,65,66)/t45?,46?,47?,48?,49?,50?,51?,52?,53?,54-,55-,56+,57-,58-,59-/m1/s1
CH$LINK: CAS
221461-68-3
CH$LINK: LIPIDBANK
EEL0143
CH$LINK: NIKKAJI
J1.063.316H
CH$LINK: INCHIKEY
QOSPLQZCACBVCZ-KINRRXRNSA-N
AC$INSTRUMENT: JEOL JMS DX-303
AC$INSTRUMENT_TYPE: FAB-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION FAB
AC$MASS_SPECTROMETRY: MATRIX glycerol
MS$FOCUSED_ION: ION_TYPE [M-H+Na]+
PK$SPLASH: splash10-0a4i-9422265555-f115fdba0a5d60042330
PK$NUM_PEAK: 637
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//
