CHEBI:62000 - glucosyl-heptosyl-(phosphonatoheptosyl)2-(KDO)2-lipid A(10−)

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ChEBI Name glucosyl-heptosyl-(phosphonatoheptosyl)2-(KDO)2-lipid A(10−)
ChEBI ID CHEBI:62000
ChEBI ASCII Name glucosyl-heptosyl-(phosphonatoheptosyl)2-(KDO)2-lipid A(10-)
Definition A lipid A oxoanion obtained via deprotonation of the carboxy and phosphate OH groups of glucosyl-heptosyl-(phosphoheptosyl)2-(KDO)2-lipid A.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Eugeni Belda
Supplier Information
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Formula C137H240N2O68P4
Net Charge -10
Average Mass 3127.245
Monoisotopic Mass 3125.43888
InChI InChI=1S/C137H250N2O68P4/c1-7-13-19-25-31-37-38-44-50-56-62-68-100(156)189-86(66-60-54-48-42-35-29-23-17-11-5)72-102(158)194-123-104(139-98(154)71-85(65-59-53-47-41-34-28-22-16-10-4)188-99(155)67-61-55-49-43-36-30-24-18-12-6)128(186-81-95-107(161)122(193-101(157)70-84(146)64-58-52-46-40-33-27-21-15-9-3)103(129(191-95)207-211(182,183)184)138-97(153)69-83(145)63-57-51-45-39-32-26-20-14-8-2)192-96(121(123)204-208(173,174)175)82-187-136(134(169)170)74-93(201-137(135(171)172)73-87(147)105(159)116(202-137)89(149)76-141)120(119(203-136)91(151)78-143)198-132-113(167)124(126(205-209(176,177)178)117(196-132)90(150)77-142)200-133-114(168)125(199-131-112(166)108(162)106(160)94(79-144)190-131)127(206-210(179,180)181)118(197-133)92(152)80-185-130-111(165)109(163)110(164)115(195-130)88(148)75-140/h83-96,103-133,140-152,159-168H,7-82H2,1-6H3,(H,138,153)(H,139,154)(H,169,170)(H,171,172)(H2,173,174,175)(H2,176,177,178)(H2,179,180,181)(H2,182,183,184)/p-10/t83-,84-,85-,86-,87-,88+,89-,90+,91-,92+,93-,94-,95-,96-,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-,128-,129-,130+,131-,132-,133-,136-,137-/m1/s1
InChIKey PGWHDOSYAOIVFB-QKGFAXFKSA-D
SMILES [C@H]1([C@H]([C@H]([C@@H]([C@H](O1)[C@H](CO)O)O)O)O)OC[C@@H]([C@H]2O[C@@H]([C@H]([C@H]([C@@H]2OP([O-])(=O)[O-])O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O[C@@H]4[C@@H]([C@H](O[C@@H]([C@H]4OP(=O)([O-])[O-])[C@H](CO)O)O[C@@H]5[C@@H](C[C@](O[C@@]5([C@@H](CO)O)[H])(OC[C@@H]6[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](OC[C@@H]7[C@H]([C@@H]([C@H]([C@H](O7)OP(=O)([O-])[O-])NC(=O)C[C@@H](CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O)O6)C([O-])=O)O[C@]8(C([O-])=O)C[C@@H](O)[C@H]([C@](O8)([C@H](O)CO)[H])O)O)O
ChEBI Ontology
Outgoing glucosyl-heptosyl-(phosphonatoheptosyl)2-(KDO)2-lipid A(10−) (CHEBI:62000) is a lipid A oxoanion (CHEBI:60086)
glucosyl-heptosyl-(phosphonatoheptosyl)2-(KDO)2-lipid A(10−) (CHEBI:62000) is conjugate base of glucosyl-heptosyl-(phosphoheptosyl)2-(KDO)2-lipid A (CHEBI:62202)
Incoming glucosyl-heptosyl-(phosphoheptosyl)2-(KDO)2-lipid A (CHEBI:62202) is conjugate acid of glucosyl-heptosyl-(phosphonatoheptosyl)2-(KDO)2-lipid A(10−) (CHEBI:62000)
Synonyms Sources
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 A UniProt
glucosyl-heptosyl3-KDO2-lipid A-bisphosphate(10−) ChEBI
Manual Xref Database
CPD0-935 MetaCyc
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Last Modified
27 October 2017