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alpha-Kdo-(2->4)-alpha-Kdo-(2->6)-lipid A

Properties

Image

Occurences in reactions

MNX_ID

MNXM730505

	#reac
in my sandbox	0
in MNXref (generic)	47
in models (compartimentalized)	16

formula

C₁₁₀H₁₉₆N₂O₃₉P₂

charge

-6

mass

2231.29234

reference

chebi:58540

InChIKey

DIXUKJUHGLIZGU-OIPVZEHTSA-H

InChI

InChI=1S/C110H202N2O39P2/c1-7-13-19-25-31-37-38-44-50-56-62-68-92(123)142-82(66-60-54-48-42-35-29-23-17-11-5)72-94(125)146-104-96(112-90(121)71-81(65-59-53-47-41-34-28-22-16-10-4)141-91(122)67-61-55-49-43-36-30-24-18-12-6)105(144-88(102(104)150-152(133,134)135)78-140-109(107(129)130)74-86(98(127)101(148-109)85(119)76-114)147-110(108(131)132)73-83(117)97(126)100(149-110)84(118)75-113)139-77-87-99(128)103(145-93(124)70-80(116)64-58-52-46-40-33-27-21-15-9-3)95(106(143-87)151-153(136,137)138)111-89(120)69-79(115)63-57-51-45-39-32-26-20-14-8-2/h79-88,95-106,113-119,126-128H,7-78H2,1-6H3,(H,111,120)(H,112,121)(H,129,130)(H,131,132)(H2,133,134,135)(H2,136,137,138)/p-6/t79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,109-,110-/m1/s1

SMILES

CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@H]1[C@H](OP(=O)([O-])[O-])[C@@H](CO[C@]2(C(=O)[O-])C[C@@H](O[C@]3(C(=O)[O-])C[C@@H](O)[C@@H](O)[C@@H]([C@H](O)CO)O3)[C@@H](O)[C@@H]([C@H](O)CO)O2)O[C@@H](OC[C@H]2O[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]2O)[C@@H]1NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC

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Similar chemical compounds in external resources
Identifier	Description
CHEBI:58540 chebi:58540	alpha-Kdo-(2->4)-alpha-Kdo-(2->6)-lipid A (Kdo)2-lipid A(6-) (E. coli) 3-deoxy-alpha-D-manno-oct-2-ulopyranonosyl-(2->4)-3-deoxy-alpha-D-manno-oct-2-ulopyranonosyl-(2->6)-2-deoxy-2-[(3R)-3-(dodecanoyloxy)tetradecanamido]-4-O-phosphonato-3-O-[(3R)-3-(tetradecanoyloxy)tetradecanoyl]-beta-D-glucopyranosyl-(1->6)-2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-[(3R)-3-hydroxytetradecanamido]-1-O-phosphonato-alpha-D-glucopyranose
CHEBI:27963 chebi:27963	(Kdo)2-lipid A (E. coli) (Kdo)2-lipid A 3-deoxy-alpha-D-manno-oct-2-ulopyranonosyl-(2->4)-3-deoxy-alpha-D-manno-oct-2-ulopyranonosyl-(2->6)-2-deoxy-2-[(3R)-3-(dodecanoyloxy)tetradecanamido]-4-O-phosphono-3-O-[(3R)-3-(tetradecanoyloxy)tetradecanoyl]-beta-D-glucopyranosyl-(1->6)-2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-[(3R)-3-hydroxytetradecanamido]-1-O-phosphono-alpha-D-glucopyranose Di[3-deoxy-D-manno-octulosonyl]-lipid A KDO2-lipid (A)
bigg.metabolite:lipa biggM:lipa	KDO(2)-lipid (A)
kegg.compound:C06026 keggC:C06026	KDO2-lipid A Di[3-deoxy-D-manno-octulosonyl]-lipid A Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A) alpha-Kdo-(2->4)-alpha-Kdo-(2->6)-lipid A
metacyc.compound:KDO2-LIPID-A metacycM:KDO2-LIPID-A	alpha-D-Kdo-(2->4)-alpha-D-Kdo-(2->6)-lipid A (E. coli) (Kdo)2-lipid A (E. coli) Kdo2-lipid A (E. coli) Re endotoxin
seed.compound:cpd03587 seedM:cpd03587	kdo2-lipid a (Kdo)2-lipid A Di[3-deoxy-D-manno-octulosonyl]-lipid A KDO(2)-lipid (A) KDO2-lipid (A) Kdo2-lipid A Re endotoxin alpha-D-Kdo-(2->4)-alpha-D-Kdo-(2->6)-lipid A alpha-Kdo-(2->4)-alpha-Kdo-(2->6)-lipid A lipa
chebi:23656 chebi:4476 biggM:M_lipa keggC:M_C06026 seedM:M_cpd03587	secondary/obsolete/fantasy identifier