CHEBI:61522 - (KDO)2-(palmitoleoyl-myristoyl)-lipid A(6−)

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ChEBI Name (KDO)2-(palmitoleoyl-myristoyl)-lipid A(6−)
ChEBI ID CHEBI:61522
ChEBI ASCII Name (KDO)2-(palmitoleoyl-myristoyl)-lipid A(6-)
Definition A lipid A oxoanion obtained via deprotonation of the carboxy and phosphate OH groups of (KDO)2-(palmitoleoyl-myristoyl)-lipid A; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Eugeni Belda
Supplier Information
Download Molfile XML SDF
Formula C114H202N2O39P2
Net Charge -6
Average Mass 2286.76120
Monoisotopic Mass 2285.336
InChI InChI=1S/C114H208N2O39P2/c1-7-13-19-25-31-37-39-40-42-48-54-59-65-71-95(126)145-85(69-63-57-51-45-35-29-23-17-11-5)75-94(125)116-100-108(150-98(129)76-86(70-64-58-52-46-36-30-24-18-12-6)146-96(127)72-66-60-53-47-41-38-32-26-20-14-8-2)106(154-156(137,138)139)92(82-144-113(111(133)134)78-90(102(131)105(152-113)89(123)80-118)151-114(112(135)136)77-87(121)101(130)104(153-114)88(122)79-117)148-109(100)143-81-91-103(132)107(149-97(128)74-84(120)68-62-56-50-44-34-28-22-16-10-4)99(110(147-91)155-157(140,141)142)115-93(124)73-83(119)67-61-55-49-43-33-27-21-15-9-3/h37,39,83-92,99-110,117-123,130-132H,7-36,38,40-82H2,1-6H3,(H,115,124)(H,116,125)(H,133,134)(H,135,136)(H2,137,138,139)(H2,140,141,142)/p-6/b39-37-/t83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,113-,114-/m1/s1
InChIKey YMYMIWUIGJUAIZ-LSPGFKFTSA-H
SMILES [H][C@@]1(O[C@@](C[C@@H](O)[C@H]1O)(O[C@@H]1C[C@@](OC[C@H]2O[C@@H](OC[C@H]3O[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]3O)[C@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)[C@@H](OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)[C@@H]2OP([O-])([O-])=O)(O[C@]([H])([C@H](O)CO)[C@@H]1O)C([O-])=O)C([O-])=O)[C@H](O)CO
ChEBI Ontology
Outgoing (KDO)2-(palmitoleoyl-myristoyl)-lipid A(6−) (CHEBI:61522) is a lipid A oxoanion (CHEBI:60086)
(KDO)2-(palmitoleoyl-myristoyl)-lipid A(6−) (CHEBI:61522) is conjugate base of (KDO)2-(palmitoleoyl-myristoyl)-lipid A (CHEBI:61556)
Incoming (KDO)2-(palmitoleoyl-myristoyl)-lipid A (CHEBI:61556) is conjugate acid of (KDO)2-(palmitoleoyl-myristoyl)-lipid A(6−) (CHEBI:61522)
Synonyms Sources
((9Z)-hexadecenoyl-tetradecanoyl)-(Kdo)2-lipid A UniProt
(KDO)2-(palmitoleoyl-myristoyl)-lipid A hexaanion ChEBI
(KDO)2-lipid A, cold adapted SUBMITTER
Manual Xref Database
KDO2-LIPID-IVA-COLD MetaCyc
View more database links
Last Modified
15 September 2015