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lipid A disaccharide (E. coli)

MNXM1569 is deprecated and here replaced by MNXM1370477
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1370477 Image of MNXM1370477
referencechebi:58466
formulaC68H127N2O20P
global charge-2
mol weight1323.732
InChIKeyHLDJGHAAKRKPAV-QDORLFPLSA-L
InChIInChI=1S/C68H129N2O20P/c1-5-9-13-17-21-25-29-33-37-41-51(72)45-57(76)69-61-65(88-59(78)47-53(74)43-39-35-31-27-23-19-15-11-7-3)63(80)55(49-71)86-67(61)85-50-56-64(81)66(89-60(79)48-54(75)44-40-36-32-28-24-20-16-12-8-4)62(68(87-56)90-91(82,83)84)70-58(77)46-52(73)42-38-34-30-26-22-18-14-10-6-2/h51-56,61-68,71-75,80-81H,5-50H2,1-4H3,(H,69,76)(H,70,77)(H2,82,83,84)/p-2/t51-,52-,53-,54-,55-,56-,61-,62-,63-,64-,65-,66-,67-,68-/m1/s1
SMILESCCCCCCCCCCC[C@@H](O)CC(=O)N[C@H]1[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)O[C@H](CO)[C@@H](O)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C68H129N2O20P/c1-5-9-13-17-21-25-29-33-37-41-51(72)45-57(76)69-61-65(88-59(78)47-53(74)43-39-35-31-27-23-19-15-11-7-3)63(80)55(49-71)86-67(61)85-50-56-64(81)66(89-60(79)48-54(75)44-40-36-32-28-24-20-16-12-8-4)62(68(87-56)90-91(82,83)84)70-58(77)46-52(73)42-38-34-30-26-22-18-14-10-6-2/h51-56,61-68,71-75,80-81H,5-50H2,1-4H3,(H,69,76)(H,70,77)(H2,82,83,84)/t51-,52-,53-,54-,55-,56-,61-,62-,63-,64-,65-,66-,67-,68-/m1/s1 Image of MNXM1370477
SMILES (mnx)[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:88][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:55]([CH2:49][OH:71])[O:86][C@H:67]1[O:85][CH2:50][C@@H:56]1[C@@H:64]([OH:81])[C@H:66]([O:89][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: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:68]([O:90][P:91]([OH:82])([OH:83])=[O:84])[O:87]1)[OH:76])[OH:72]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)12
in models (compartimentalized) 4
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:58466
chebi:58466
HLDJGHAAKRKPAV-QDORLFPLSA-L 		lipid A disaccharide (E. coli)
2,3,2',3'-tetrakis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl-1,6-beta-D-glucosamine 1-phosphate dianion
2,3,2',3'-tetrakis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl-1,6-beta-D-glucosamine 1-phosphate(2-)
2-deoxy-6-O-(2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-beta-D-glucopyranosyl)-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-1-O-phosphonato-alpha-D-glucopyranose

sabiork.compound:7687
sabiorkM:7687
HLDJGHAAKRKPAV-QDORLFPLSA-N 		2,3,2',3'-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-1,6-beta- D-glucosamine 1-phosphate
2,3-Bis(3-hydroxytetradecanoyl)-D-glucosaminyl-1,6-beta-D-2,3-bis(3- hydroxytetradecanoyl)-beta-D-glucosaminyl 1-phosphate
2,3-Bis(3-hydroxytetradecanoyl)-D-glucosaminyl-1,6-beta-D-2,3-bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl 1-phosphate
2,3-Bis-(3-hydroxytetradecanoyl)-D-glucosaminyl-(beta-D-1,6)-2,3- bis(3-hydroxy-tetradecanoyl)-D-glucosaminyl beta-phosphate
2,3-Bis-(3-hydroxytetradecanoyl)-D-glucosaminyl-(beta-D-1,6)-2,3-bis(3-hydroxy-tetradecanoyl)-D-glucosaminyl beta-phosphate
2,3-Bis-(beta-hydroxymyristoyl)-D-glucosaminyl-(beta-D-1,6)-2,3- bis(beta-hydroxymyristoyl)-D-glucosaminyl beta-phosphate
2,3-Bis-(beta-hydroxymyristoyl)-D-glucosaminyl-(beta-D-1,6)-2,3-bis(beta-hydroxymyristoyl)-D-glucosaminyl beta-phosphate
Lipid A disaccharide

CHEBI:18380
chebi:18380
HLDJGHAAKRKPAV-QDORLFPLSA-N 		2,3,2',3'-tetrakis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl-1,6-beta-D-glucosamine 1-phosphate
2,3,2',3'-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-1,6-beta-D-glucosamine 1-phosphate
2,3-Bis(3-hydroxytetradecanoyl)-D-glucosaminyl-1,6-beta-D-2,3-bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl 1-phosphate
2,3-Bis-(3-hydroxytetradecanoyl)-D-glucosaminyl-(beta-D-1,6)-2,3-bis(3-hydroxy-tetradecanoyl)-D-glucosaminyl beta-phosphate
2,3-Bis-(beta-hydroxymyristoyl)-D-glucosaminyl-(beta-D-1,6)-2,3-bis(beta-hydroxymyristoyl)-D-glucosaminyl beta-phosphate
2-deoxy-6-O-(2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-beta-D-glucopyranosyl)-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-1-O-phosphono-alpha-D-glucopyranose
Lipid A disaccharide
lipid A-disaccharide-1-P
lipid A-disaccharide-1-phosphate

lipidmaps:LMSL01040002
lipidmapsM:LMSL01040002
HLDJGHAAKRKPAV-QDORLFPLSA-N 		Lipid A -disaccharide-1-P
Lipid A -disaccharide-1-phosphate

bigg.metabolite:lipidAds
biggM:lipidAds
HLDJGHAAKRKPAV-UHFFFAOYSA-M 		Lipid A Disaccharide

seed.compound:cpd03002
seedM:cpd03002
HLDJGHAAKRKPAV-QDORLFPLSA-L 		Lipid A disaccharide
2'-3'-diacyl-GlcN(beta-1'-6)2,3-diacyl-GlcN-1-P
2,3,2',3'-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-1,6-beta- D-glucosamine 1-phosphate
2,3,2',3'-tetrakis(3-hydroxymyristoyl)-D-glucosaminyl-1,6-alpha-D-glucosamine 1-phosphate
2,3-Bis(3-hydroxytetradecanoyl)-D-glucosaminyl-1,6-beta-D-2,3-bis(3- hydroxytetradecanoyl)-beta-D-glucosaminyl 1-phosphate
2,3-Bis(3-hydroxytetradecanoyl)-D-glucosaminyl-1,6-beta-D-2,3-bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl 1-phosphate
2,3-Bis-(3-hydroxytetradecanoyl)-D-glucosaminyl-(beta-D-1,6)-2,3- bis(3-hydroxy-tetradecanoyl)-D-glucosaminyl beta-phosphate
2,3-Bis-(beta-hydroxymyristoyl)-D-glucosaminyl-(beta-D-1,6)-2,3- bis(beta-hydroxymyristoyl)-D-glucosaminyl beta-phosphate
2,3-Bis[(3R)-3-hydroxytetradecanoyl]-beta-D-glucosaminyl-(1->6)-2,3-bis[(3R)-3-hydroxytetradecanoyl]-alpha-D-glucosaminyl 1-phosphate
2,3-bis(3-hydroxymyristoyl)-D-glucosaminyl-1,6-beta-D-2,3-bis(3-hydroxymyristoyl)-alpha-D-glucosaminyl 1-phosphate
2,3-bis(3-hydroxymyristoyl)-beta-D-glucosaminyl-1,6-beta-D-2,3-bis(3-hydroxymyristoyl)-alpha-D-glucosaminyl 1-phosphate
2,3-bis(3-hydroxytetradecanoyl)-D-glucosaminyl-1,6-beta-D-2,3-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate
2,3-bis-(3-hydroxytetradecanoyl)-D-glucosaminyl-(beta-D-1,6)-2,3-bis-(3-hydroxytetradecanoyl)-D-glucosaminyl-alpha-phosphate
2,3-bis-(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(beta-D-1,6)-2,3-bis-(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl-1-phosphate
Lipid A Disaccharide
Tetraacyldisaccharide 1-phosphate
[2-N,3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl]-(1->6)-[2-N,3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate]
[2-N,3-O-bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl]-(1 -> 6)-[2-N,3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate]
[2-N,3-O-bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl]-(1->6)-[2-N,3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate]
lipid A disaccharide
lipid A disaccharide (E. coli)
lipidA
tetraacyldisaccharide-1-phosphate

kegg.compound:C04932
keggC:C04932
HLDJGHAAKRKPAV-QDORLFPLSA-N 		Lipid A disaccharide
2,3-Bis[(3R)-3-hydroxytetradecanoyl]-beta-D-glucosaminyl-(1->6)-2,3-bis[(3R)-3-hydroxytetradecanoyl]-alpha-D-glucosaminyl 1-phosphate
Tetraacyldisaccharide 1-phosphate
[2-N,3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl]-(1->6)-[2-N,3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate]

metacyc.compound:BISOHMYR-GLC
metacycM:BISOHMYR-GLC
HLDJGHAAKRKPAV-QDORLFPLSA-L 		lipid A disaccharide (E. coli)
2'-3'-diacyl-GlcN(beta-1'-6)2,3-diacyl-GlcN-1-P
2,3,2',3'-tetrakis(3-hydroxymyristoyl)-D-glucosaminyl-1,6-alpha-D-glucosamine 1-phosphate
2,3-bis(3-hydroxymyristoyl)-beta-D-glucosaminyl-1,6-beta-D-2,3-bis(3-hydroxymyristoyl)-alpha-D-glucosaminyl 1-phosphate
2,3-bis(3-hydroxytetradecanoyl)-D-glucosaminyl-1,6-beta-D-2,3-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate
2,3-bis-(3-hydroxytetradecanoyl)-beta-D-glucosaminyl-(beta-D-1,6)-2,3-bis-(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl-1-phosphate
[2-N,3-O-bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl]-(1 -> 6)-[2-N,3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate]
tetraacyldisaccharide-1-phosphate

chebi:11414
chebi:11415
chebi:19293
chebi:862
biggM:M_lipidAds
keggC:M_C04932
seedM:M_cpd03002 		secondary/obsolete/fantasy identifier