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2-N,3-O-bis[(3R)-3-hydroxytetradecanoyl]-alpha-D-glucosaminyl 1-phosphate

MNXM1839 is deprecated and here replaced by MNXM1371373
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1371373 Image of MNXM1371373
referencechebi:57957
formulaC34H64NO12P
global charge-2
mol weight709.855
InChIKeyHEHQDWUWJVPREQ-XQJZMFRCSA-L
InChIInChI=1S/C34H66NO12P/c1-3-5-7-9-11-13-15-17-19-21-26(37)23-29(39)35-31-33(32(41)28(25-36)45-34(31)47-48(42,43)44)46-30(40)24-27(38)22-20-18-16-14-12-10-8-6-4-2/h26-28,31-34,36-38,41H,3-25H2,1-2H3,(H,35,39)(H2,42,43,44)/p-2/t26-,27-,28-,31-,32-,33-,34-/m1/s1
SMILESCCCCCCCCCCC[C@@H](O)CC(=O)N[C@H]1[C@@H](OP(=O)([O-])[O-])O[C@H](CO)[C@@H](O)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C34H66NO12P/c1-3-5-7-9-11-13-15-17-19-21-26(37)23-29(39)35-31-33(32(41)28(25-36)45-34(31)47-48(42,43)44)46-30(40)24-27(38)22-20-18-16-14-12-10-8-6-4-2/h26-28,31-34,36-38,41H,3-25H2,1-2H3,(H,35,39)(H2,42,43,44)/t26-,27-,28-,31-,32-,33-,34-/m1/s1 Image of MNXM1371373
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][C@H:26]([CH2:23][C:29](=[N:35][C@@H:31]1[C@@H:33]([O:46][C:30]([CH2:24][C@@H:27]([CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:38])=[O:40])[C@H:32]([OH:41])[C@@H:28]([CH2:25][OH:36])[O:45][C@@H:34]1[O:47][P:48]([OH:42])([OH:43])=[O:44])[OH:39])[OH:37]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 4
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:57957
chebi:57957
HEHQDWUWJVPREQ-XQJZMFRCSA-L 		2-N,3-O-bis[(3R)-3-hydroxytetradecanoyl]-alpha-D-glucosaminyl 1-phosphate
2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-1-O-phosphonato-alpha-D-glucopyranose
lipid X dianion
lipid X(2-)

sabiork.compound:1837
sabiorkM:1837
HEHQDWUWJVPREQ-XQJZMFRCSA-N 		2,3-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl 1-phosphate
2,3-Bis(beta-hydoroxymyristoyl)-beta-D-glucosaminyl 1-phosphate
Lipid X

seed.compound:cpd02930
seedM:cpd02930
HEHQDWUWJVPREQ-XQJZMFRCSA-L 		Lipid X
2,3-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate
2,3-Bis(beta-hydoroxymyristoyl)-beta-D-glucosaminyl 1-phosphate
2,3-Bis[(3R)-3-hydroxymyristoyl]-alpha-D-glucosaminyl 1-phosphate
2,3-Diacylglucosamine 1-phosphate
2,3-bis(3-hydroxymyristoyl)-alpha-D-glucosaminyl 1-phosphate
2,3-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate
2,3-bis(beta-hydroxymyristoyl)-alpha-D-glucosaminyl 1-phosphate
2,3-bis[(3R)-3-hydroxymyristoyl]-alpha-D-glucosaminyl 1-phosphate
lipid X
lipidX

kegg.compound:C04824
keggC:C04824
HEHQDWUWJVPREQ-XQJZMFRCSA-N 		Lipid X
2,3-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate
2,3-Bis[(3R)-3-hydroxymyristoyl]-alpha-D-glucosaminyl 1-phosphate
2,3-Diacylglucosamine 1-phosphate

lipidmaps:LMSL01020001
lipidmapsM:LMSL01020001
HEHQDWUWJVPREQ-XQJZMFRCSA-N 		Lipid X
2,3-bis-(3R-hydroxy-tetradecanoyl)-alphaD-glucosamine-1-phosphate

metacyc.compound:BISOHMYR-GLUCOSAMINYL-1P
metacycM:BISOHMYR-GLUCOSAMINYL-1P
HEHQDWUWJVPREQ-XQJZMFRCSA-L 		lipid X (E. coli)
2,3-bis(3-hydroxymyristoyl)-alpha-D-glucosaminyl 1-phosphate
2,3-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate
2,3-bis(beta-hydroxymyristoyl)-alpha-D-glucosaminyl 1-phosphate
2,3-bis[(3R)-3-hydroxymyristoyl]-alpha-D-glucosaminyl 1-phosphate
lipid X

CHEBI:16942
chebi:16942
HEHQDWUWJVPREQ-XQJZMFRCSA-N 		lipid X
2,3-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate
2,3-Bis[(3R)-3-hydroxymyristoyl]-alpha-D-glucosaminyl 1-phosphate
2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-1-O-phosphono-alpha-D-glucopyranose
Lipid X

chebi:11413
chebi:19303
chebi:870
keggC:M_C04824
seedM:M_cpd02930 		secondary/obsolete/fantasy identifier