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N-acetyl-alpha-D-glucosaminyl-1-diphospho-trans,octa-cis-decaprenol

PropertiesImage
MNX_IDMNXM1364396 Image of MNXM1364396
referencechebi:65080
formulaC58H95NO12P2
global charge-2
mol weight1060.341
InChIKeyQZCSSLRFYDKWIR-BYWHINGUSA-L
InChIInChI=1S/C58H97NO12P2/c1-43(2)22-13-23-44(3)24-14-25-45(4)26-15-27-46(5)28-16-29-47(6)30-17-31-48(7)32-18-33-49(8)34-19-35-50(9)36-20-37-51(10)38-21-39-52(11)40-41-68-72(64,65)71-73(66,67)70-58-55(59-53(12)61)57(63)56(62)54(42-60)69-58/h22,24,26,28,30,32,34,36,38,40,54-58,60,62-63H,13-21,23,25,27,29,31,33,35,37,39,41-42H2,1-12H3,(H,59,61)(H,64,65)(H,66,67)/p-2/b44-24+,45-26-,46-28-,47-30-,48-32-,49-34-,50-36-,51-38-,52-40-/t54-,55-,56-,57-,58-/m1/s1
SMILESCC(=O)N[C@H]1[C@@H](OP(=O)([O-])OP(=O)([O-])OC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(\C)CCC=C(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C58H97NO12P2/c1-43(2)22-13-23-44(3)24-14-25-45(4)26-15-27-46(5)28-16-29-47(6)30-17-31-48(7)32-18-33-49(8)34-19-35-50(9)36-20-37-51(10)38-21-39-52(11)40-41-68-72(64,65)71-73(66,67)70-58-55(59-53(12)61)57(63)56(62)54(42-60)69-58/h22,24,26,28,30,32,34,36,38,40,54-58,60,62-63H,13-21,23,25,27,29,31,33,35,37,39,41-42H2,1-12H3,(H,59,61)(H,64,65)(H,66,67)/b44-24+,45-26-,46-28-,47-30-,48-32-,49-34-,50-36-,51-38-,52-40-/t54-,55-,56-,57-,58-/m1/s1 Image of MNXM1364396
SMILES (mnx)[CH3:1][C:43]([CH3:2])=[CH:22][CH2:13][CH2:23]/[C:44]([CH3:3])=[CH:24]/[CH2:14][CH2:25]/[C:45]([CH3:4])=[CH:26]\[CH2:15][CH2:27]/[C:46]([CH3:5])=[CH:28]\[CH2:16][CH2:29]/[C:47]([CH3:6])=[CH:30]\[CH2:17][CH2:31]/[C:48]([CH3:7])=[CH:32]\[CH2:18][CH2:33]/[C:49]([CH3:8])=[CH:34]\[CH2:19][CH2:35]/[C:50]([CH3:9])=[CH:36]\[CH2:20][CH2:37]/[C:51]([CH3:10])=[CH:38]\[CH2:21][CH2:39]/[C:52]([CH3:11])=[CH:40]\[CH2:41][O:68][P:72]([OH:64])(=[O:65])[O:71][P:73]([OH:66])(=[O:67])[O:70][C@@H:58]1[C@H:55]([N:59]=[C:53]([CH3:12])[OH:61])[C@@H:57]([OH:63])[C@H:56]([OH:62])[C@@H:54]([CH2:42][OH:60])[O:69]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:65080
chebi:65080
QZCSSLRFYDKWIR-BYWHINGUSA-L 		N-acetyl-alpha-D-glucosaminyl-1-diphospho-trans,octa-cis-decaprenol
2-acetamido-1-O-{[({[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-yl]oxy}phosphinato)oxy]phosphinato}-2-deoxy-alpha-D-glucopyranose
N-acetyl-alpha-D-glucosaminyl-1-diphospho-trans,octacis-decaprenol(2-)
N-acetyl-alpha-D-glucosaminyl-1-diphospho-trans,polycis-decaprenol(2-)

seed.compound:cpd24377
seedM:cpd24377
QZCSSLRFYDKWIR-BYWHINGUSA-L 		GlcNAc-PP-C50
GlcNAc-pyrophosphoryldecaprenol
N-acetyl-D-glucosaminyldiphospho-decaprenol
N-acetyl-D-glucosaminyldiphosphodecaprenol
N-acetyl-alpha-D-glucosaminyl-diphospho-trans,octacis-decaprenol
N-acetyl-glucosaminyl-pyrophosphoryldecaprenol
decaprenyl diphospho N-acetyl-glucosamine
decaprenyl-N-acetyl-D-glucosaminyl-pyrophosphate
glycolipid 1
mono-trans, poly-cis-decaprenyl-N-acetyl-alpha-D-glucosaminyl-pyrophosphate

seed.compound:cpd31078
seedM:cpd31078
QZCSSLRFYDKWIR-BYWHINGUSA-L 		N-Acetyl-alpha-D-glucosaminyl-diphospho-trans,octacis-decaprenol

CHEBI:65116
chebi:65116
QZCSSLRFYDKWIR-BYWHINGUSA-N 		N-acetyl-alpha-D-glucosaminyl-1-diphospho-trans,polycis-decaprenol
2-acetamido-1-O-[{[{[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-yl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2-deoxy-alpha-D-glucopyranose
N-acetyl-alpha-D-glucosaminyl-1-diphospho-trans,octacis-decaprenol
trans,octacis-decaprenyldiphospho-N-acetyl-alpha-D-glucosamine
trans,polycis-decaprenyldiphospho-N-acetyl-alpha-D-glucosamine

metacyc.compound:CPD-2209
metacycM:CPD-2209
QZCSSLRFYDKWIR-BYWHINGUSA-L 		N-acetyl-alpha-D-glucosaminyl-diphospho-trans,octacis-decaprenol
GlcNAc-PP-C50
GlcNAc-pyrophosphoryldecaprenol
N-acetyl-D-glucosaminyldiphospho-decaprenol
N-acetyl-D-glucosaminyldiphosphodecaprenol
N-acetyl-glucosaminyl-pyrophosphoryldecaprenol
decaprenyl diphospho N-acetyl-glucosamine
decaprenyl-N-acetyl-D-glucosaminyl-pyrophosphate
glycolipid 1
lipid I
mono-trans, poly-cis-decaprenyl-N-acetyl-alpha-D-glucosaminyl-pyrophosphate

seedM:M_cpd24377
seedM:M_cpd31078 		secondary/obsolete/fantasy identifier