Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 00:22:06 UTC
Update Date2022-08-31 06:26:38 UTC
Metabolite IDMMDBc0007032
Metabolite Identification
Common NamePGL KI
DescriptionPGL KI belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds. Based on a literature review a significant number of articles have been published on PGL KI.
Structure
SynonymsNot Available
Molecular FormulaC63H106O22
Average Mass1215.519
Monoisotopic Mass1214.717575053
IUPAC Name1-(4-{[(2R,5R)-4-{[(2R,5R)-4-{[(2R,5S)-5-(acetyloxy)-4-{[(2S,5S)-4-hydroxy-5-methoxy-6-methyloxan-2-yl]oxy}-3-methoxy-6-methyloxan-2-yl]oxy}-5-hydroxy-3-methoxy-6-methyloxan-2-yl]oxy}-3,5-dimethoxy-6-methyloxan-2-yl]oxy}phenyl)-10-methoxy-9-methyl-2-[(2-methylpentanoyl)oxy]dodecan-4-yl 2-methylpentanoate
Traditional Name1-(4-{[(2R,5R)-4-{[(2R,5R)-4-{[(2R,5S)-5-(acetyloxy)-4-{[(2S,5S)-4-hydroxy-5-methoxy-6-methyloxan-2-yl]oxy}-3-methoxy-6-methyloxan-2-yl]oxy}-5-hydroxy-3-methoxy-6-methyloxan-2-yl]oxy}-3,5-dimethoxy-6-methyloxan-2-yl]oxy}phenyl)-10-methoxy-9-methyl-2-[(2-methylpentanoyl)oxy]dodecan-4-yl 2-methylpentanoate
CAS Registry NumberNot Available
SMILES
[H]C(CCCCC([H])(C)C([H])(CC)OC)(CC([H])(CC1=CC=C(O[C@@]2([H])OC([H])(C)[C@@]([H])(OC)C([H])(O[C@@]3([H])OC([H])(C)[C@@]([H])(O)C([H])(O[C@@]4([H])OC([H])(C)[C@]([H])(OC(C)=O)C([H])(O[C@@]5([H])CC([H])(O)[C@]([H])(OC)C([H])(C)O5)C4([H])OC)C3([H])OC)C2([H])OC)C=C1)OC(=O)C([H])(C)CCC)OC(=O)C([H])(C)CCC
InChI Identifier
InChI=1S/C63H106O22/c1-18-23-35(5)59(67)80-44(26-22-21-25-34(4)47(20-3)69-12)32-45(81-60(68)36(6)24-19-2)31-42-27-29-43(30-28-42)82-61-57(73-16)54(51(71-14)39(9)77-61)85-62-56(72-15)53(49(66)37(7)76-62)84-63-58(74-17)55(52(40(10)78-63)79-41(11)64)83-48-33-46(65)50(70-13)38(8)75-48/h27-30,34-40,44-58,61-63,65-66H,18-26,31-33H2,1-17H3/t34?,35?,36?,37?,38?,39?,40?,44?,45?,46?,47?,48-,49+,50+,51+,52-,53?,54?,55?,56?,57?,58?,61+,62+,63+/m0/s1
InChI KeyDYFXSORVIFFEBD-MSHBSJEASA-N