InChI=1S/C120H227N4O53P5/c1- 7- 13- 19- 25- 31- 37- 38- 44- 50- 56- 62- 68- 96(137) 163- 86(66- 60- 54- 48- 42- 35- 29- 23- 17- 11- 5) 76- 98(139) 167- 112- 100(124- 94(135) 75- 85(65- 59- 53- 47- 41- 34- 28- 22- 16- 10- 4) 162- 95(136) 67- 61- 55- 49- 43- 36- 30- 24- 18- 12- 6) 115(158- 81- 91- 101(140) 111(166- 97(138) 74- 84(129) 64- 58- 52- 46- 40- 33- 27- 21- 15- 9- 3) 99(116(164- 91) 175- 182(156,157) 177- 180(152,153) 161- 72- 70- 122) 123- 93(134) 73- 83(128) 63- 57- 51- 45- 39- 32- 26- 20- 14- 8- 2) 165- 92(110(112) 173- 181(154,155) 176- 178(147,148) 149) 82- 159- 120(119(145) 146) 77- 87(130) 108(109(172- 120) 90(133) 80- 127) 170- 117- 104(143) 113(102(141) 106(168- 117) 88(131) 78- 125) 171- 118- 105(144) 114(174- 179(150,151) 160- 71- 69- 121) 103(142) 107(169- 118) 89(132) 79- 126/h83- 92,99- 118,125- 133,140- 144H,7- 82,121- 122H2,1- 6H3,(H,123,134) (H,124,135) (H,145,146) (H,150,151) (H,152,153) (H,154,155) (H,156,157) (H2,147,148,149) /t83- ,84- ,85- ,86- ,87- ,88+,89+,90- ,91- ,92- ,99- ,100- ,101- ,102- ,103- ,104+,105+,106- ,107- ,108- ,109- ,110- ,111- ,112- ,113+,114+,115- ,116- ,117- ,118- ,120- /m1/s1 |
XKWRWDCQEFNULL-CFDCENMDSA-N |
CCCCCCCCCCCCCC(=O) O[C@H] (CCCCCCCCCCC) CC(=O) O[C@@H] 1[C@@H] (NC(=O) C[C@@H] (CCCCCCCCCCC) OC(=O) CCCCCCCCCCC) [C@H] (OC[C@H] 2O[C@H] (OP(O) (=O) OP(O) (=O) OCCN) [C@H] (NC(=O) C[C@H] (O) CCCCCCCCCCC) [C@@H] (OC(=O) C[C@H] (O) CCCCCCCCCCC) [C@@H] 2O) O[C@H] (CO[C@@] 2(C[C@@H] (O) [C@@H] (O[C@H] 3O[C@H] ([C@@H] (O) CO) [C@@H] (O) [C@H] (O[C@H] 4O[C@H] ([C@@H] (O) CO) [C@@H] (O) [C@H] (OP(O) (=O) OCCN) [C@@H] 4O) [C@@H] 3O) [C@H] (O2) [C@H] (O) CO) C(O) =O) [C@H] 1OP(O) (=O) OP(O) (O) =O |
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Outgoing
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3- PEA- L- α- D- Hepp- (1→3)- L- α- D- Hepp- (1→5)- α- Kdo- (2→6)- (de- O- acylated lipid A)
(CHEBI:84084)
is a
dodecanoate ester
(CHEBI:87659)
3- PEA- L- α- D- Hepp- (1→3)- L- α- D- Hepp- (1→5)- α- Kdo- (2→6)- (de- O- acylated lipid A)
(CHEBI:84084)
is a
lipid As
(CHEBI:25051)
3- PEA- L- α- D- Hepp- (1→3)- L- α- D- Hepp- (1→5)- α- Kdo- (2→6)- (de- O- acylated lipid A)
(CHEBI:84084)
is a
tetradecanoate ester
(CHEBI:87691)
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(5R)- 3- O- [(2- aminoethoxy)(hydroxy)phosphoryl]- 5- [(1S)- 1,2- dihydroxyethyl]- α- D- lyxopyranosyl- (1→3)- (5R)- 5- [(1S)- 1,2- dihydroxyethyl]- α- D- lyxopyranosyl- (1→5)- (6R)- 3- deoxy- 6- [(1R)- 1,2- dihydroxyethyl]- β- L- erythro- hex- 2- ulopyranonosyl- (2→6)- 2- deoxy- 2- {[(3R)- 3- (dodecanoyloxy)tetradecanoyl]amino}- 4- O- [hydroxy(phosphonooxy)phosphoryl]- 3- O- [(3R)- 3- (tetradecanoyloxy)tetradecanoyl]- β- D- glucopyranosyl- (1→6)- 1- O- [{[(2- aminoethoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]- 2- deoxy- 3- O- [(3R)- 3- hydroxytetradecanoyl]- 2- {[(3R)- 3- hydroxytetradecanoyl]amino}- α- D- glucopyranose
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3- PEA- L- α- D- Hep- (1→3)- L- α- D- Hep- (1→5)- α- Kdo- (2→6)- (de- O- acylated lipid A)
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ChEBI
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24013955
|
PubMed citation
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Europe PMC
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