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CHEBI:219407 - PGL KII

ChEBI IDCHEBI:219407
ChEBI NamePGL KII
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SubmitterMetaboLights
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FormulaC64H108O24
Net Charge0
Average Mass1261.544
Monoisotopic Mass1260.72305
SMILESCCCC(C)C(=O)OC(CCCCC(C)C(CC)OC)CC(Cc1ccc(O[C@H]2OC(C)[C@@H](OC)C(O[C@H]3OC(C)[C@@H](O)C(O[C@H]4OC(C)[C@H](OC(C)=O)C(O[C@@H]5OC(CO)[C@@H](OC)C(O)C5OC)C4OC)C3OC)C2OC)cc1)OC(=O)C(C)CCC
WURCSWURCS=2.0/4,4,3/[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_4*OC][axx2xm-1d_1-5_2*OC][axx1xm-1d_1-5_2*OC_4*OCC/3=O][axx2xh-1u_1-5_2*OC_4*OC]/1-2-3-4/a3-b1_b3-c1_c3-d1
InChIInChI=1S/C64H108O24/c1-18-23-35(5)59(69)82-43(26-22-21-25-34(4)45(20-3)71-11)32-44(83-60(70)36(6)24-19-2)31-41-27-29-42(30-28-41)84-62-57(76-16)54(49(72-12)38(8)79-62)87-63-56(75-15)52(47(67)37(7)78-63)86-64-58(77-17)55(50(39(9)80-64)81-40(10)66)88-61-53(74-14)48(68)51(73-13)46(33-65)85-61/h27-30,34-39,43-58,61-65,67-68H,18-26,31-33H2,1-17H3/t34?,35?,36?,37?,38?,39?,43?,44?,45?,46?,47-,48?,49-,50+,51-,52?,53?,54?,55?,56?,57?,58?,61+,62-,63-,64-/m1/s1
InChIKeyZNJFGCMESWLNPI-DKFCJNHDSA-N
Species of MetaboliteComponentSourceComments
Mycobacteriumspecies (ncbitaxon:1785) - PubMed (3818637)
ChEBI Ontology
Outgoing Relation(s)
PGL KII (CHEBI:219407) is a oligosaccharide (CHEBI:50699)
IUPAC Name 
[1-[4-[(2R,5R)-4-[(2R,5R)-4-[(2R,5S)-5-acetyloxy-4-[(2S,5S)-4-hydroxy-6-(hydroxymethyl)-3,5-dimethoxyoxan-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]oxyphenyl]-10-methoxy-9-methyl-2-(2-methylpentanoyloxy)dodecan-4-yl] 2-methylpentanoate
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