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CHEBI:89981 - LPS with O-antigen

ChEBI IDCHEBI:89981
ChEBI NameLPS with O-antigen
Stars
DownloadsMolfile

FormulaC211H376N8O126P6
Net Charge0
Average Mass5227.103
Monoisotopic Mass5224.16862
SMILESCCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@H](OC[C@H]2O[C@H](OP(=O)(O)O)[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]2O)O[C@H](CO[C@]2(C(=O)O)C[C@@H](O[C@]3(C(=O)O)C[C@@H](O[C@]4(C(=O)O)C[C@@H](OP(=O)(O)OCCN)[C@H](O)[C@@H]([C@@H](O)CO)O4)[C@H](O)[C@@H]([C@@H](O)CO)O3)[C@H](OC3O[C@H]([C@@H](O)CO)[C@@H](OP(=O)(O)OP(=O)(O)OCCN)[C@H](OC4O[C@H]([C@@H](O)COC5O[C@H]([C@@H](O)CO)[C@@H](OP(=O)(O)O)[C@H](O)[C@@H]5O)[C@@H](O)[C@H](OC5O[C@H](CO[C@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H](O[C@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6OC6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8NC(C)=O)[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O[C@H]9O[C@H](CO[C@H]%10O[C@H](CO)[C@H](O)[C@H](O)[C@H]%10O)[C@H](O)[C@H](O)[C@H]9O)[C@H]8NC(C)=O)[C@H]7NC(C)=O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6NC(C)=O)[C@H]5O)[C@@H]4O)[C@@H]3O)[C@@H]([C@@H](O)CO)O2)[C@H]1OP(=O)(O)O
WURCSWURCS=2.0/11,18,17/[a2122h-1a_1-5_1*OPO/3O/3=O_2*NCCC^RCCCCCCCCCCC/5O/3=O_3*OCCC^RCCCCCCCCCCC/5O/3=O][a2122h-1b_1-5_2*NCCC^ROCCCCCCCCCCCC/7=O/5CCCCCCCCCCC/3=O_3*OCCC^ROCCCCCCCCCCCCCC/7=O/5CCCCCCCCCCC/3=O_4*OPO/3O/3=O][Aad1221h-2b_2-6][Aad1221h-2b_2-6_4*OPOCCN/3O/3=O][a11221h-1x_1-5_4*OPOPOCCN/5O/5=O/3O/3=O][a11221h-1x_1-5][a2122h-1x_1-5][a2112h-1a_1-5][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5_2*NCC/3=O][a11221h-1x_1-5_4*OPO/3O/3=O]/1-2-3-3-4-5-6-7-8-7-9-10-10-8-8-9-8-11/a6-b1_b6-c2_c4-d2_c5-f1_d4-e2_f3-g1_g3-h1_g7-r1_h3-i1_h6-q1_i2-j1_j2-k1_j3-l1_l3-m1_l6-p1_m3-n1_n6-o1
InChIInChI=1S/C211H376N8O126P6/c1-11-17-23-29-35-41-42-48-54-60-66-72-134(247)308-109(70-64-58-52-46-39-33-27-21-15-5)80-136(249)322-182-142(219-132(245)79-108(69-63-57-51-45-38-32-26-20-14-4)307-133(246)71-65-59-53-47-40-34-28-22-16-6)192(301-99-128-153(260)179(321-135(248)78-107(237)68-62-56-50-44-37-31-25-19-13-3)141(196(317-128)344-348(290,291)292)218-131(244)77-106(236)67-61-55-49-43-36-30-24-18-12-2)320-130(178(182)341-346(284,285)286)101-304-209(206(278)279)83-118(336-210(207(280)281)81-116(149(256)172(337-210)110(238)84-220)335-211(208(282)283)82-117(340-349(293,294)305-75-73-212)150(257)173(338-211)111(239)85-221)177(176(339-209)114(242)88-224)326-203-170(277)186(189(175(325-203)113(241)87-223)343-351(297,298)345-350(295,296)306-76-74-213)332-202-169(276)184(167(274)171(323-202)115(243)96-299-199-166(273)162(269)187(342-347(287,288)289)174(324-199)112(240)86-222)329-201-168(275)183(155(262)129(319-201)100-303-198-164(271)159(266)146(253)122(92-228)313-198)330-204-188(161(268)147(254)123(93-229)314-204)333-205-190(334-193-138(215-103(8)233)157(264)144(251)120(90-226)310-193)185(152(259)125(95-231)315-205)331-195-140(217-105(10)235)181(154(261)127(316-195)98-300-191-137(214-102(7)232)156(263)143(250)119(89-225)309-191)327-194-139(216-104(9)234)180(151(258)124(94-230)311-194)328-200-165(272)160(267)148(255)126(318-200)97-302-197-163(270)158(265)145(252)121(91-227)312-197/h106-130,137-205,220-231,236-243,250-277H,11-101,212-213H2,1-10H3,(H,214,232)(H,215,233)(H,216,234)(H,217,235)(H,218,244)(H,219,245)(H,278,279)(H,280,281)(H,282,283)(H,293,294)(H,295,296)(H,297,298)(H2,284,285,286)(H2,287,288,289)(H2,290,291,292)/t106-,107-,108-,109-,110+,111+,112+,113+,114+,115+,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,137-,138-,139-,140-,141-,142-,143-,144-,145+,146+,147+,148+,149+,150+,151+,152-,153-,154+,155-,156-,157-,158+,159+,160+,161+,162-,163-,164-,165-,166+,167-,168-,169+,170+,171-,172-,173-,174-,175-,176-,177+,178-,179-,180-,181-,182-,183+,184+,185+,186-,187+,188-,189-,190-,191-,192-,193+,194+,195+,196-,197+,198+,199?,200-,201?,202?,203?,204-,205?,209-,210-,211-/m1/s1
InChIKeyBFVQTKQTUCQRPI-YYEZTRBPSA-N

Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood (UBERON:0000178) PubMed (14754910)
ChEBI Ontology
Synonyms  Source
Endotoxin LipopolysaccharideHMDB
LipopolysaccharideHMDB
LPSHMDB
Endotoxin LPSHMDB
EndotoxinHMDB
Lipopolysaccharide with O-antigenHMDB
Manual XrefsDatabases
CPD0-2294MetaCyc
LipopolysaccharideWikipedia
HMDB0013470HMDB
Citations