Record Information
Version1.0
StatusDetected and Quantified
Creation Date2022-06-17 19:40:00 UTC
Update Date2022-08-12 20:09:11 UTC
Metabolite IDMMDBc0055020
Metabolite Identification
Common Name(Kdo)2-lipid A 1-diphosphate
Descriptionalpha-D-Kdo-(2->4)-alpha-D-Kdo-(2->6)-lipid A 1-diphosphate, also known as (kdo)2-lipid a 1-diphosphate or α-D-kdo-(2->4)-α-D-kdo-(2->6)-lipid a 1-diphosphoric acid, belongs to the class of organic compounds known as acylaminosugars. These are organic compounds containing a sugar linked to a chain through N-acyl group. Based on a literature review very few articles have been published on alpha-D-Kdo-(2->4)-alpha-D-Kdo-(2->6)-lipid A 1-diphosphate.
Structure
Synonyms
ValueSource
(Kdo)2-lipid a 1-diphosphateChEBI
(Kdo)2-lipid a 1-diphosphoric acidGenerator
a-D-Kdo-(2->4)-a-D-kdo-(2->6)-lipid a 1-diphosphateGenerator
a-D-Kdo-(2->4)-a-D-kdo-(2->6)-lipid a 1-diphosphoric acidGenerator
alpha-D-Kdo-(2->4)-alpha-D-kdo-(2->6)-lipid a 1-diphosphoric acidGenerator
Α-D-kdo-(2->4)-α-D-kdo-(2->6)-lipid a 1-diphosphateGenerator
Α-D-kdo-(2->4)-α-D-kdo-(2->6)-lipid a 1-diphosphoric acidGenerator
Molecular FormulaC110H196N2O42P3
Average Mass2311.675
Monoisotopic Mass2310.251394413
IUPAC Name(2R,4R,5R,6R)-2-{[(2R,4R,5R,6R)-2-carboxy-6-[(1R)-1,2-dihydroxyethyl]-2-{[(2R,3S,4R,5R,6R)-5-{[(3R)-3-(dodecanoyloxy)-1-oxidotetradecylidene]amino}-6-{[(2R,3S,4R,5R,6R)-6-{[(hydrogen phosphonooxy)(hydroxy)phosphoryl]oxy}-3-hydroxy-5-{[(3R)-3-hydroxy-1-oxidotetradecylidene]amino}-4-{[(3R)-3-hydroxytetradecanoyl]oxy}oxan-2-yl]methoxy}-3-(phosphonooxy)-4-{[(3R)-3-(tetradecanoyloxy)tetradecanoyl]oxy}oxan-2-yl]methoxy}-5-hydroxyoxan-4-yl]oxy}-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyoxane-2-carboxylate
Traditional Name(2R,4R,5R,6R)-2-{[(2R,4R,5R,6R)-2-carboxy-6-[(1R)-1,2-dihydroxyethyl]-2-{[(2R,3S,4R,5R,6R)-5-{[(3R)-3-(dodecanoyloxy)-1-oxidotetradecylidene]amino}-6-{[(2R,3S,4R,5R,6R)-6-{[hydrogen phosphonooxy(hydroxy)phosphoryl]oxy}-3-hydroxy-5-{[(3R)-3-hydroxy-1-oxidotetradecylidene]amino}-4-{[(3R)-3-hydroxytetradecanoyl]oxy}oxan-2-yl]methoxy}-3-(phosphonooxy)-4-{[(3R)-3-(tetradecanoyloxy)tetradecanoyl]oxy}oxan-2-yl]methoxy}-5-hydroxyoxan-4-yl]oxy}-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyoxane-2-carboxylate
CAS Registry NumberNot Available
SMILES
[H][C@@](O)(CCCCCCCCCCC)CC(=O)O[C@@]1([H])[C@]([H])(O)[C@@]([H])(CO[C@]2([H])O[C@]([H])(CO[C@@]3(C[C@@]([H])(O[C@@]4(C[C@@]([H])(O)[C@@]([H])(O)[C@]([H])(O4)[C@]([H])(O)CO)C([O-])=O)[C@@]([H])(O)[C@]([H])(O3)[C@]([H])(O)CO)C([O-])=O)[C@@]([H])(OP([O-])([O-])=O)[C@]([H])(OC(=O)C[C@@]([H])(CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)[C@@]2([H])N=C([O-])C[C@@]([H])(CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)O[C@]([H])(OP(O)(=O)OP(O)([O-])=O)[C@]1([H])N=C([O-])C[C@]([H])(O)CCCCCCCCCCC
InChI Identifier
InChI=1S/C110H203N2O42P3/c1-7-13-19-25-31-37-38-44-50-56-62-68-92(123)144-82(66-60-54-48-42-35-29-23-17-11-5)72-94(125)148-104-96(112-90(121)71-81(65-59-53-47-41-34-28-22-16-10-4)143-91(122)67-61-55-49-43-36-30-24-18-12-6)105(146-88(102(104)152-155(133,134)135)78-142-109(107(129)130)74-86(98(127)101(150-109)85(119)76-114)149-110(108(131)132)73-83(117)97(126)100(151-110)84(118)75-113)141-77-87-99(128)103(147-93(124)70-80(116)64-58-52-46-40-33-27-21-15-9-3)95(106(145-87)153-157(139,140)154-156(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)(H,139,140)(H2,133,134,135)(H2,136,137,138)/p-7/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
InChI KeyFEIRMQZKCHCJCZ-OIPVZEHTSA-G