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CHEBI:62002 - galactosyl-(glucosyl)2-(heptosyl)3-(KDO)2-lipid A-bisphosphate(10−)

ChEBI IDCHEBI:62002
ChEBI Namegalactosyl-(glucosyl)2-(heptosyl)3-(KDO)2-lipid A-bisphosphate(10−)
Stars
ASCII Namegalactosyl-(glucosyl)2-(heptosyl)3-(KDO)2-lipid A-bisphosphate(10-)
DefinitionA lipid A oxoanion obtained via deprotonation of the carboxy and phosphate OH groups of galactosyl-(glucosyl)2-(heptosyl)3-(KDO)2-lipid A-bisphosphate.
Last Modified27 October 2017
SubmitterEugeni Belda
DownloadsMolfile
FormulaC149H260N2O78P4
Net Charge-10
Average Mass3451.551
Monoisotopic Mass3449.54453
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](OP(=O)([O-])[O-])[C@H](O[C@H]3O[C@H]([C@@H](O)CO[C@H]4O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H](OP(=O)([O-])[O-])[C@H](O[C@H]4O[C@H](CO[C@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H]4O)[C@@H]3O)[C@@H]2O)(C(=O)[O-])C[C@@H](O)[C@H]1O
InChIInChI=1S/C149H270N2O78P4/c1-7-13-19-25-31-37-38-44-50-56-62-68-104(169)208-88(66-60-54-48-42-35-29-23-17-11-5)72-106(171)215-132-108(151-102(167)71-87(65-59-53-47-41-34-28-22-16-10-4)207-103(168)67-61-55-49-43-36-30-24-18-12-6)138(204-82-98-112(175)131(214-105(170)70-86(159)64-58-52-46-40-33-27-21-15-9-3)107(139(211-98)229-233(200,201)202)150-101(166)69-85(158)63-57-51-45-39-32-26-20-14-8-2)213-100(130(132)226-230(191,192)193)84-206-148(146(187)188)74-95(223-149(147(189)190)73-89(160)109(172)125(224-149)91(162)76-153)129(128(225-148)93(164)78-155)219-144-122(185)134(136(227-231(194,195)196)126(217-144)92(163)77-154)222-145-123(186)135(137(228-232(197,198)199)127(218-145)94(165)81-203-141-119(182)116(179)117(180)124(216-141)90(161)75-152)221-143-121(184)133(220-142-120(183)115(178)111(174)97(80-157)210-142)113(176)99(212-143)83-205-140-118(181)114(177)110(173)96(79-156)209-140/h85-100,107-145,152-165,172-186H,7-84H2,1-6H3,(H,150,166)(H,151,167)(H,187,188)(H,189,190)(H2,191,192,193)(H2,194,195,196)(H2,197,198,199)(H2,200,201,202)/p-10/t85-,86-,87-,88-,89-,90+,91-,92+,93-,94+,95-,96-,97-,98-,99-,100-,107-,108-,109-,110+,111-,112-,113-,114+,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-,148-,149-/m1/s1
InChIKeySCHCLYNSYWDAGC-BYLJMSECSA-D
ChEBI Ontology
Outgoing Relation(s)
galactosyl-(glucosyl)2-(heptosyl)3-(KDO)2-lipid A-bisphosphate(10−) (CHEBI:62002) is a lipid A oxoanion (CHEBI:60086)
galactosyl-(glucosyl)2-(heptosyl)3-(KDO)2-lipid A-bisphosphate(10−) (CHEBI:62002) is conjugate base of galactosyl-(glucosyl)2-(heptosyl)3-(KDO)2-lipid A-bisphosphate (CHEBI:62200)
Incoming Relation(s)
galactosyl-(glucosyl)2-(heptosyl)3-(KDO)2-lipid A-bisphosphate (CHEBI:62200) is conjugate acid of galactosyl-(glucosyl)2-(heptosyl)3-(KDO)2-lipid A-bisphosphate(10−) (CHEBI:62002)
Synonym  Source
galactosyl-glucosyl2-heptosyl3-KDO2-lipid A-bisphosphate(10−)ChEBI
UniProt Name  Source
α-D-Glc-(1→3)-[α-D-Gal-(1→6)]-α-D-Glc-(1→3)-[L-α-D-Hep-(1→7)]-4-O-PO32−-L-α-D-Hep-(1→3)-4-O-PO32−-L-α-D-Hep-(1→5)-[α-Kdo-(2→4)]-α-Kdo-(2→6)-lipid AUniProt
Manual XrefsDatabases
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