CHEBI:89981 - LPS with O-antigen

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ChEBI Name LPS with O-antigen
ChEBI ID CHEBI:89981
Stars This entity has been manually annotated by a third party.
Supplier Information eMolecules:31492408, ZINC000003777403
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Delphinidin (also delphinidine) is an anthocyanidin, a primary plant pigment, and also an antioxidant. Delphinidin gives blue hues to flowers in the genera Viola and Delphinium. It also gives the blue-red color of the grape variety Cabernet Sauvignon, and can be found in cranberries and Concord grapes as well as pomegranates, and bilberries. Delphinidin, like nearly all other anthocyanidins, is pH-sensitive, i.e. a natural pH indicator, and changes from blue in basic solution to red in acidic solution.
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Formula C211H376N8O126P6
Net Charge 0
Average Mass 5227.072
Monoisotopic Mass 5224.16862
InChI InChI=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
InChIKey BFVQTKQTUCQRPI-YYEZTRBPSA-N
SMILES C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](C(O[C@@H]([C@H]2O)CO)O[C@H]3[C@H](O[C@@H]([C@@H]([C@@H]3O)O)CO)O[C@@H]4[C@H](C(O[C@@H]([C@H]4O)CO[C@@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)O[C@@H]6[C@@H](C(O[C@@H]([C@H]6O)[C@H](COC7[C@H]([C@H]([C@@H]([C@H](O7)[C@H](CO)O)OP(=O)(O)O)O)O)O)O[C@@H]8[C@@H](C(O[C@@H]([C@H]8OP(=O)(OP(=O)(O)OCCN)O)[C@H](CO)O)O[C@H]9[C@@H](C[C@@](O[C@@H]9[C@H](CO)O)(C(O)=O)OC[C@@H]%10[C@@H](OP(=O)(O)O)[C@H](OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@@H](O%10)OC[C@@H]%11[C@H]([C@@H]([C@H]([C@H](O%11)OP(=O)(O)O)NC(=O)C[C@@H](CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O)O[C@@]%12(C[C@H]([C@@H]([C@H](O%12)[C@H](CO)O)O)O[C@@]%13(C[C@H]([C@@H]([C@H](O%13)[C@H](CO)O)O)OP(=O)(OCCN)O)C(O)=O)C(O)=O)O)O)O)O[C@H]%14[C@@H]([C@H]([C@@H]([C@H](O%14)CO)O)O)NC(C)=O)NC(C)=O)O[C@H]%15[C@@H]([C@H]([C@H]([C@@H](CO)O%15)O)O[C@@H]%16[C@@H]([C@H]([C@H]([C@H](O%16)CO[C@@H]%17[C@@H]([C@H]([C@H]([C@H](O%17)CO)O)O)O)O)O)O)NC(C)=O)O)O[C@H]%18[C@@H]([C@H]([C@@H]([C@H](O%18)CO)O)O)NC(C)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood (UBERON:0000178). See: PubMed
ChEBI Ontology
Outgoing LPS with O-antigen (CHEBI:89981) is a polysaccharide (CHEBI:18154)
Synonyms Sources
Endotoxin HMDB
Endotoxin Lipopolysaccharide HMDB
Endotoxin LPS HMDB
Lipopolysaccharide HMDB
Lipopolysaccharide with O-antigen HMDB
LPS HMDB
Manual Xrefs Databases
CPD0-2294 MetaCyc
HMDB0013470 HMDB
Lipopolysaccharide Wikipedia
View more database links
Citation Type Source
14754910 PubMed citation Europe PMC