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CHEBI:198848 - PGL K8

ChEBI IDCHEBI:198848
ChEBI NamePGL K8
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SubmitterMetaboLights
DownloadsMolfile
FormulaC53H90O18
Net Charge0
Average Mass1015.285
Monoisotopic Mass1014.61272
SMILESCCCC(C)C(=O)OC(CCCCC(C)C(CC)OC)CC(Cc1ccc(O[C@H]2OC(C)[C@@H](O)C(O[C@H]3OC(C)[C@@H](O)C(O[C@H]4OC(C)[C@H](O)C(O)C4OC)C3OC)C2OC)cc1)OC(=O)C(C)CCC
WURCSWURCS=2.0/3,3,2/[axx2xm-1d_1-5_1*O(CCCCCC$3/6)CC^XCC^XOCC^XCCC/15C/14=O/12CCCCC^XC^XCC/26OC/25C/10OCC^XCCC/34C/33=O_2*OC][axx2xm-1d_1-5_2*OC][axx1xm-1d_1-5_2*OC]/1-2-3/a3-b1_b3-c1
InChIInChI=1S/C53H90O18/c1-14-19-30(5)49(58)67-37(22-18-17-21-29(4)39(16-3)60-10)28-38(68-50(59)31(6)20-15-2)27-35-23-25-36(26-24-35)69-52-47(62-12)44(41(55)33(8)65-52)71-53-48(63-13)45(42(56)34(9)66-53)70-51-46(61-11)43(57)40(54)32(7)64-51/h23-26,29-34,37-48,51-57H,14-22,27-28H2,1-13H3/t29?,30?,31?,32?,33?,34?,37?,38?,39?,40-,41+,42+,43?,44?,45?,46?,47?,48?,51+,52+,53+/m0/s1
InChIKeyNHXHDQFTVZUNTA-IHDDPFCSSA-N
Species of MetaboliteComponentSourceComments
Mycobacteriumspecies (ncbitaxon:1785) - PubMed (9310365)
ChEBI Ontology
Outgoing Relation(s)
PGL K8 (CHEBI:198848) is a oligosaccharide (CHEBI:50699)
IUPAC Name 
[1-[4-[(2R,5R)-4-[(2R,5R)-4-[(2R,5R)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy-5-hydroxy-3-methoxy-6-methyloxan-2-yl]oxy-5-hydroxy-3-methoxy-6-methyloxan-2-yl]oxyphenyl]-10-methoxy-9-methyl-2-(2-methylpentanoyloxy)dodecan-4-yl] 2-methylpentanoate
Manual XrefsDatabases
78445487ChemSpider