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lipid A hexaacyl 1-(2-aminoethyl diphosphate) (E. coli)

PropertiesImagewith InChI numberingOccurences in reactions
MNX_IDMNXM1377834 Image of MNXM1377834 Image of MNXM1377834
#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
formulaC96H181N3O28P3
charge-3
mass1918.416
referencechebi:87095
InChIKeyFOCHAVFXCSYXDE-MCJXJNKNSA-K
InChIInChI=1S/C96H184N3O28P3/c1-7-13-19-25-31-37-38-44-50-56-62-68-86(106)120-80(66-60-54-48-42-35-29-23-17-11-5)74-88(108)124-94-90(99-84(104)73-79(65-59-53-47-41-34-28-22-16-10-4)119-85(105)67-61-55-49-43-36-30-24-18-12-6)95(121-81(75-100)92(94)125-128(110,111)112)117-76-82-91(109)93(123-87(107)72-78(102)64-58-52-46-40-33-27-21-15-9-3)89(96(122-82)126-130(115,116)127-129(113,114)118-70-69-97)98-83(103)71-77(101)63-57-51-45-39-32-26-20-14-8-2/h77-82,89-96,100-102,109H,7-76,97H2,1-6H3,(H,98,103)(H,99,104)(H,113,114)(H,115,116)(H2,110,111,112)/p-3/t77-,78-,79-,80-,81-,82-,89-,90-,91-,92-,93-,94-,95-,96-/m1/s1
SMILES[CH3:1][CH2:7][CH2:13][CH2:19][CH2:25][CH2:31][CH2:37][CH2:38][CH2:44][CH2:50][CH2:56][CH2:62][CH2:68][C:86](=[O:106])[O:120][C@H:80]([CH2:66][CH2:60][CH2:54][CH2:48][CH2:42][CH2:35][CH2:29][CH2:23][CH2:17][CH2:11][CH3:5])[CH2:74][C:88](=[O:108])[O:124][C@@H:94]1[C@@H:90]([N:99]=[C:84]([CH2:73][C@@H:79]([CH2:65][CH2:59][CH2:53][CH2:47][CH2:41][CH2:34][CH2:28][CH2:22][CH2:16][CH2:10][CH3:4])[O:119][C:85]([CH2:67][CH2:61][CH2:55][CH2:49][CH2:43][CH2:36][CH2:30][CH2:24][CH2:18][CH2:12][CH3:6])=[O:105])[OH:104])[C@H:95]([O:117][CH2:76][C@@H:82]2[C@@H:91]([OH:109])[C@H:93]([O:123][C:87]([CH2:72][C@@H:78]([CH2:64][CH2:58][CH2:52][CH2:46][CH2:40][CH2:33][CH2:27][CH2:21][CH2:15][CH2:9][CH3:3])[OH:102])=[O:107])[C@@H:89]([N:98]=[C:83]([CH2:71][C@@H:77]([CH2:63][CH2:57][CH2:51][CH2:45][CH2:39][CH2:32][CH2:26][CH2:20][CH2:14][CH2:8][CH3:2])[OH:101])[OH:103])[C@@H:96]([O:126][P:130]([OH:115])(=[O:116])[O:127][P:129]([OH:113])(=[O:114])[O:118][CH2:70][CH2:69][NH2:97])[O:122]2)[O:121][C@H:81]([CH2:75][OH:100])[C@H:92]1[O:125][P:128]([OH:110])([OH:111])=[O:112]
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Similar chemical compounds in external resources
IdentifierDescription
CHEBI:87095
chebi:87095 		lipid A hexaacyl 1-(2-aminoethyl diphosphate) (E. coli)
lipid A 1-(2-aminoethyl diphosphate)(3-)
seed.compound:cpd36222
seedM:cpd36222 		Lipid-A-1-2-aminoethyl-PP
CHEBI:87339
chebi:87339 		lipid A 1-(2-aminoethyl diphosphate)
1-O-[{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2-deoxy-6-O-(2-deoxy-2-{[(3R)-3-(dodecanoyloxy)tetradecanoyl]amino}-4-O-phosphono-3-O-[(3R)-3-(tetradecanoyloxy)tetradecanoyl]-beta-D-glucopyranosyl)-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-alpha-D-glucopyranose
seedM:M_cpd36222 secondary/obsolete/fantasy identifier