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CHEBI:90977 - LOSGM1

ChEBI IDCHEBI:90977
ChEBI NameLOSGM1
Stars
ASCII NameLOSGM1
DefinitionA lipooligosaccharide, prepared from Campylobacter jejuni (strain HS:19). It binds with cholera toxin B.
Last Modified25 January 2016
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC157H283N4O75P3
Net Charge0
Average Mass3519.866
Monoisotopic Mass3517.76666
SMILES[H][C@@]1([C@H](O)[C@H](O)CO)O[C@@](O[C@@H]2[C@@H](O)[C@H](O[C@@H]3[C@H](O)[C@@H](O[C@@H]4[C@H](O)[C@@H](O[C@@H]5[C@H](O)C[C@](OC[C@H]6O[C@@H](OC[C@H]7O[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]7O)[C@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)[C@@H](OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)[C@@H]6OP(=O)(O)O)(C(=O)O)O[C@]5([H])[C@H](O)CO)O[C@]([H])([C@@H](O)COP(=O)(O)O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)O[C@]([H])([C@H](O)CO)[C@H]3O)O[C@H](CO)[C@@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2NC(C)=O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C157H283N4O75P3/c1-9-15-21-27-33-39-41-42-44-50-56-62-68-74-112(182)215-96(72-66-60-54-48-38-32-26-20-14-6)78-114(184)223-141-118(161-110(180)77-95(71-65-59-53-47-37-31-25-19-13-5)214-111(181)73-67-61-55-49-43-40-34-28-22-16-10-2)146(211-89-107-123(189)138(222-113(183)76-94(172)70-64-58-52-46-36-30-24-18-12-4)117(148(220-107)236-239(208,209)210)160-109(179)75-93(171)69-63-57-51-45-35-29-23-17-11-3)221-108(137(141)235-238(205,206)207)90-212-156(154(198)199)80-98(174)133(135(232-156)101(177)83-164)225-153-130(196)143(145(134(226-153)102(178)88-213-237(202,203)204)231-150-127(193)125(191)121(187)104(85-166)218-150)230-152-129(195)142(128(194)132(224-152)100(176)82-163)229-151-131(197)144(234-157(155(200)201)79-97(173)115(158-91(7)169)140(233-157)119(185)99(175)81-162)136(106(87-168)219-151)227-147-116(159-92(8)170)139(122(188)105(86-167)216-147)228-149-126(192)124(190)120(186)103(84-165)217-149/h93-108,115-153,162-168,171-178,185-197H,9-90H2,1-8H3,(H,158,169)(H,159,170)(H,160,179)(H,161,180)(H,198,199)(H,200,201)(H2,202,203,204)(H2,205,206,207)(H2,208,209,210)/t93-,94-,95-,96-,97+,98-,99-,100-,101-,102+,103-,104-,105-,106-,107-,108-,115-,116-,117-,118-,119-,120+,121-,122+,123-,124+,125+,126-,127-,128-,129+,130+,131-,132-,133-,134-,135-,136+,137-,138-,139-,140-,141-,142+,143-,144-,145-,146-,147+,148-,149+,150+,151+,152-,153+,156-,157+/m1/s1
InChIKeyJXUMDQHMIMJQEA-QSSCRUQGSA-N
ChEBI Ontology
Outgoing Relation(s)
LOSGM1 (CHEBI:90977) is a lipooligosaccharide (CHEBI:35371)
IUPAC Name 
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-[β-D-galactopyranosyl-(1→3)-2-acetamido-2-deoxy-β-D-galactopyranosyl-(1→4)]-β-D-galactopyranosyl-(1→3)-D-glycero-α-D-manno-heptopyranosyl-(1→3)-[β-D-glucopyranosyl-(1→4)]-7-O-phosphono-L-glycero-α-D-manno-heptopyranosyl-(1→5)-3-deoxy-α-D-manno-oct-2-ulopyranonosyl-(2→6)-2-deoxy-3-O-[(3R)-3-(hexadecanoyloxy)tetradecanoyl]-4-O-phosphono-2-{[(3R)-3-(tetradecanoyloxy)tetradecanoyl]amino}-β-D-glucopyranosyl-(1→6)-2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-1-O-phosphono-α-D-glucopyranose
Synonyms  Source
lipooligosaccharide(GM1)ChEBI
LOS(GM1)ChEBI
GM1-like lipooligosaccharideChEBI
Citations