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CHEBI:193076 - L-α-D-Hep-(1→7)-L-α-D-Hep-(1→3)-4-O-phospho-L-α-D-Hep-(1→5)-[α-Kdo-(2→4)]-α-Kdo-(2→6)-lipid A(8−)

ChEBI IDCHEBI:193076
ChEBI NameL-α-D-Hep-(1→7)-L-α-D-Hep-(1→3)-4-O-phospho-L-α-D-Hep-(1→5)-[α-Kdo-(2→4)]-α-Kdo-(2→6)-lipid A(8−)
Stars
ASCII NameL-alpha-D-Hep-(1->7)-L-alpha-D-Hep-(1->3)-4-O-phospho-L-alpha-D-Hep-(1->5)-[alpha-Kdo-(2->4)]-alpha-Kdo-(2->6)-lipid A(8-)
Last Modified8 September 2022
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC131H231N2O60P3
Net Charge-8
Average Mass2887.165
Monoisotopic Mass2885.43428
SMILES[H][C@]1([C@H](O)CO)O[C@@](O[C@@H]2C[C@](OC[C@H]3O[C@@H](OC[C@H]4O[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]4O)[C@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)[C@@H]3OP(=O)([O-])[O-])(C(=O)[O-])O[C@]([H])([C@H](O)CO)[C@@H]2O[C@H]2O[C@]([H])([C@@H](O)CO[C@H]3O[C@]([H])([C@@H](O)CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](OP(=O)([O-])[O-])[C@H](O[C@H]3O[C@]([H])([C@@H](O)CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)(C(=O)[O-])C[C@@H](O)[C@H]1O
InChIInChI=1S/C131H239N2O60P3/c1-7-13-19-25-31-37-38-44-50-56-62-68-98(149)178-85(66-60-54-48-42-35-29-23-17-11-5)72-100(151)182-120-102(133-96(147)71-84(65-59-53-47-41-34-28-22-16-10-4)177-97(148)67-61-55-49-43-36-30-24-18-12-6)123(175-80-93-104(153)119(181-99(150)70-83(139)64-58-52-46-40-33-27-21-15-9-3)101(124(179-93)193-196(171,172)173)132-95(146)69-82(138)63-57-51-45-39-32-26-20-14-8-2)180-94(118(120)191-194(165,166)167)81-176-130(128(161)162)74-92(188-131(129(163)164)73-86(140)103(152)114(189-131)89(143)77-136)117(116(190-130)90(144)78-137)186-127-111(160)121(187-126-110(159)106(155)108(157)113(184-126)88(142)76-135)122(192-195(168,169)170)115(185-127)91(145)79-174-125-109(158)105(154)107(156)112(183-125)87(141)75-134/h82-94,101-127,134-145,152-160H,7-81H2,1-6H3,(H,132,146)(H,133,147)(H,161,162)(H,163,164)(H2,165,166,167)(H2,168,169,170)(H2,171,172,173)/p-8/t82-,83-,84-,85-,86-,87+,88+,89-,90-,91+,92-,93-,94-,101-,102-,103-,104-,105+,106+,107+,108+,109+,110+,111+,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125+,126-,127-,130-,131-/m1/s1
InChIKeyXXFUDNMSYJEWIT-SEXMHTGBSA-F
ChEBI Ontology
Outgoing Relation(s)
L-α-D-Hep-(1→7)-L-α-D-Hep-(1→3)-4-O-phospho-L-α-D-Hep-(1→5)-[α-Kdo-(2→4)]-α-Kdo-(2→6)-lipid A(8−) (CHEBI:193076) is a an L-α-D-Hep-(1→7)-L-α-D-Hep-(1→3)-4-O-phospho-L-α-D-Hep-(1→5)-[α-Kdo-(2→4)]-α-Kdo-(2→6)-lipid A(8−) (CHEBI:193071)
UniProt Name  Source
L-α-D-Hep-(1→7)-L-α-D-Hep-(1→3)-4-O-phospho-L-α-D-Hep-(1→5)-[α-Kdo-(2→4)]-α-Kdo-(2→6)-lipid A (E. coli)UniProt
Manual XrefsDatabases
CPD-24488MetaCyc