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lipid IVA (E. coli)

PropertiesImageOccurences in reactions
MNX_IDMNXM731760Image of MNXM731760
#reac
in my sandbox 0
in MNXref (generic)22
in models (compartimentalized) 7
formulaC68H126N2O23P2
charge-4
mass1401.693
referencechebi:58603
InChIKeyKVJWZTLXIROHIL-QDORLFPLSA-J
InChIInChI=1S/C68H130N2O23P2/c1-5-9-13-17-21-25-29-33-37-41-51(72)45-57(76)69-61-65(90-59(78)47-53(74)43-39-35-31-27-23-19-15-11-7-3)63(80)56(89-68(61)93-95(84,85)86)50-87-67-62(70-58(77)46-52(73)42-38-34-30-26-22-18-14-10-6-2)66(64(55(49-71)88-67)92-94(81,82)83)91-60(79)48-54(75)44-40-36-32-28-24-20-16-12-8-4/h51-56,61-68,71-75,80H,5-50H2,1-4H3,(H,69,76)(H,70,77)(H2,81,82,83)(H2,84,85,86)/p-4/t51-,52-,53-,54-,55-,56-,61-,62-,63-,64-,65-,66-,67-,68-/m1/s1
SMILES[CH3:1][CH2:5][CH2:9][CH2:13][CH2:17][CH2:21][CH2:25][CH2:29][CH2:33][CH2:37][CH2:41][C@H:51]([CH2:45][C:57](=[N:69][C@@H:61]1[C@@H:65]([O:90][C:59]([CH2:47][C@@H:53]([CH2:43][CH2:39][CH2:35][CH2:31][CH2:27][CH2:23][CH2:19][CH2:15][CH2:11][CH2:7][CH3:3])[OH:74])=[O:78])[C@H:63]([OH:80])[C@@H:56]([CH2:50][O:87][C@H:67]2[C@H:62]([N:70]=[C:58]([CH2:46][C@@H:52]([CH2:42][CH2:38][CH2:34][CH2:30][CH2:26][CH2:22][CH2:18][CH2:14][CH2:10][CH2:6][CH3:2])[OH:73])[OH:77])[C@@H:66]([O:91][C:60]([CH2:48][C@@H:54]([CH2:44][CH2:40][CH2:36][CH2:32][CH2:28][CH2:24][CH2:20][CH2:16][CH2:12][CH2:8][CH3:4])[OH:75])=[O:79])[C@H:64]([O:92][P:94]([OH:81])([OH:82])=[O:83])[C@@H:55]([CH2:49][OH:71])[O:88]2)[O:89][C@@H:68]1[O:93][P:95]([OH:84])([OH:85])=[O:86])[OH:76])[OH:72]
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 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:58603
chebi:58603 		lipid IVA (E. coli)
2-deoxy-6-O-(2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-[(3R)-3-hydroxytetradecanamido]-4-O-phosphonato-beta-D-glucopyranosyl)-3-O-[(3R)-3-hydroxytetradecanoyl]-2-[(3R)-3-hydroxytetradecanamido]-1-O-phosphonato-alpha-D-glucopyranose
lipid IVA(4-)
sabiork.compound:7677
sabiorkM:7677 		2,3,2'3'-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-1,6-beta-D- glucosamine 1,4'-bisphosphate
2,3,2'3'-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-1,6-beta-D- glucosamine 1,4'-bisphosphate
2,3,2'3'-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-1,6-beta-D-glucosamine 1,4'-bisphosphate
Lipid A disaccharide bisphosphate
Lipid IV(A)
kegg.compound:C04919
keggC:C04919 		2,3,2'3'-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-1,6-beta-D-glucosamine 1,4'-bisphosphate
2,3,2'3'-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-1,6-beta-D-glucosamine 1,4'-bisphosphate
2-Deoxy-2-{[(3R)-3-hydroxytetradecanoyl]amino}-3-O-[(3R)-3-hydroxytetradecanoyl]-4-O-phospho-beta-D-glucopyranosyl-(1->6)-2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-1-O-phospho-alpha-D-glucopyranose
Lipid A disaccharide bisphosphate
Lipid IV(A)
Lipid IVA
bigg.metabolite:lipidA
biggM:lipidA 		2,3,2'3'-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-1,6-beta-D-glucosamine 1,4'-bisphosphate
vmhM:lipidA
vmhM:lipidA
vmhmetabolite:lipidA
vmhmetabolite:lipidA 		2,3,23-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-1,6-beta-D-glucosamine 1,4-bisphosphate
seed.compound:cpd02993
seedM:cpd02993 		Lipid IV(A)
2,3,2'3'-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-1,6-beta-D- glucosamine 1,4'-bisphosphate
2,3,2'3'-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-1,6-beta-D-glucosamine 1,4'-bisphosphate
2,3,2'3'-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-1,6-beta-D- glucosamine 1,4'-bisphosphate
2,3,2'3'-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-1,6-beta-D-glucosamine 1,4'-bisphosphate
2-Deoxy-2-{[(3R)-3-hydroxytetradecanoyl]amino}-3-O-[(3R)-3-hydroxytetradecanoyl]-4-O-phospho-beta-D-glucopyranosyl-(1->6)-2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-1-O-phospho-alpha-D-glucopyranose
2-deoxy-2-{[(3R)-3-hydroxypentadecanoyl]amino}-3-O-[(3R)-3-hydroxytetradecanoyl]-4-O-phosphono-beta-D-glucopyranosyl-(1->6)-2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-1-O-phosphono-alpha-D-glucopyranose
Lipid A disaccharide bisphosphate
lipid IVA
lipidA
lipidmaps:LMSL01040001
lipidmapsM:LMSL01040001 		Lipid IVA
Lipid IVA
hmdb:HMDB0254115 Lipid IVA
[5-hydroxy-6-({[6-(hydroxymethyl)-3-(3-hydroxytetradecanamido)-4-[(3-hydroxytetradecanoyl)oxy]-5-(phosphonooxy)oxan-2-yl]oxy}methyl)-3-(3-hydroxytetradecanamido)-4-[(3-hydroxytetradecanoyl)oxy]oxan-2-yl]oxyphosphonic acid
{[5-hydroxy-6-({[6-(hydroxymethyl)-3-(3-hydroxytetradecanamido)-4-[(3-hydroxytetradecanoyl)oxy]-5-(phosphonooxy)oxan-2-yl]oxy}methyl)-3-(3-hydroxytetradecanamido)-4-[(3-hydroxytetradecanoyl)oxy]oxan-2-yl]oxy}phosphonic acid
SLM:000501219
slm:000501219 		lipid IVA
metacyc.compound:LIPID-IV-A
metacycM:LIPID-IV-A 		lipid IVA (E. coli)
2-deoxy-2-{[(3R)-3-hydroxypentadecanoyl]amino}-3-O-[(3R)-3-hydroxytetradecanoyl]-4-O-phosphono-beta-D-glucopyranosyl-(1->6)-2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-1-O-phosphono-alpha-D-glucopyranose
CHEBI:29056
chebi:29056 		lipid IVA
2,3,2'3'-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-1,6-beta-D-glucosamine 1,4'-bisphosphate
2,3,2'3'-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-1,6-beta-D-glucosamine 1,4'-bisphosphate
2-deoxy-6-O-(2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-[(3R)-3-hydroxytetradecanamido]-4-O-phosphono-beta-D-glucopyranosyl)-3-O-[(3R)-3-hydroxytetradecanoyl]-2-[(3R)-3-hydroxytetradecanamido]-1-O-phosphono-alpha-D-glucopyranose
Lipid A disaccharide bisphosphate
Lipid IV(A)
lipid IVa
chebi:11407
chebi:19292
chebi:19294
chebi:863
biggM:M_lipidA
keggC:M_C04919
seedM:M_cpd02993 		secondary/obsolete/fantasy identifier