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N,N'-diacetyl-alpha-D-bacillosaminyl-tri-trans,hepta-cis-undecaprenyl diphosphate

Properties

Image

Occurences in reactions

MNX_ID

MNXM1379498

	#reac
in my sandbox	0
in MNXref (generic)	9
in models (compartimentalized)	2

formula

C₆₅H₁₀₆N₂O₁₁P₂

charge

-2

mass

1153.512

reference

chebi:68672

InChIKey

IUPUBECBZWCNJL-DBXODTDNSA-L

InChI

InChI=1S/C65H108N2O11P2/c1-48(2)26-16-27-49(3)28-17-29-50(4)30-18-31-51(5)32-19-33-52(6)34-20-35-53(7)36-21-37-54(8)38-22-39-55(9)40-23-41-56(10)42-24-43-57(11)44-25-45-58(12)46-47-75-79(71,72)78-80(73,74)77-65-63(67-61(15)69)64(70)62(59(13)76-65)66-60(14)68/h26,28,30,32,34,36,38,40,42,44,46,59,62-65,70H,16-25,27,29,31,33,35,37,39,41,43,45,47H2,1-15H3,(H,66,68)(H,67,69)(H,71,72)(H,73,74)/p-2/b49-28+,50-30+,51-32+,52-34-,53-36-,54-38-,55-40-,56-42-,57-44-,58-46-/t59-,62-,63-,64+,65-/m1/s1

SMILES

[CH3:1][C:48]([CH3:2])=[CH:26][CH2:16][CH2:27]/[C:49]([CH3:3])=[CH:28]/[CH2:17][CH2:29]/[C:50]([CH3:4])=[CH:30]/[CH2:18][CH2:31]/[C:51]([CH3:5])=[CH:32]/[CH2:19][CH2:33]/[C:52]([CH3:6])=[CH:34]\[CH2:20][CH2:35]/[C:53]([CH3:7])=[CH:36]\[CH2:21][CH2:37]/[C:54]([CH3:8])=[CH:38]\[CH2:22][CH2:39]/[C:55]([CH3:9])=[CH:40]\[CH2:23][CH2:41]/[C:56]([CH3:10])=[CH:42]\[CH2:24][CH2:43]/[C:57]([CH3:11])=[CH:44]\[CH2:25][CH2:45]/[C:58]([CH3:12])=[CH:46]\[CH2:47][O:75][P:79]([OH:71])(=[O:72])[O:78][P:80]([OH:73])(=[O:74])[O:77][C@@H:65]1[C@H:63]([N:67]=[C:61]([CH3:15])[OH:69])[C@@H:64]([OH:70])[C@H:62]([N:66]=[C:60]([CH3:14])[OH:68])[C@@H:59]([CH3:13])[O:76]1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:68672 chebi:68672	N,N'-diacetyl-alpha-D-bacillosaminyl-tri-trans,hepta-cis-undecaprenyl diphosphate 2,4-diacetamido-2,4,6-trideoxy-1-O-{[({[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl]oxy}phosphinato)oxy]phosphinato}-alpha-D-glucopyranose N,N'-diacetyl-alpha-D-bacillosaminyl-tritrans,heptacis-undecaprenyl diphosphate N,N'-diacetyl-alpha-D-bacillosaminyl-tritrans,heptacis-undecaprenyl diphosphate(2-)
metacyc.compound:CPD-14254 metacycM:CPD-14254	N,N'-diacetyl-alpha-D-bacillosaminyl-diphospho-tri-trans,hepta-cis-undecaprenol 2,4-diacetamido-2,4,6-trideoxy-alpha-D-glucopyranose-diphospho-tritrans,heptacis-undecaprenol N,N'-diacetylbacillosaminyl-alpha1-diphospho-tri-trans,hepta-cis-undecaprenol
CHEBI:68825 chebi:68825	N,N'-diacetyl-alpha-D-bacillosaminyl-tritrans,heptacis-undecaprenyl diphosphate 2,4-diacetamido-2,4,6-trideoxy-1-O-{hydroxy[(hydroxy{[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl]oxy}phosphoryl)oxy]phosphoryl}-alpha-D-glucopyranose
seed.compound:cpd24251 seedM:cpd24251	N,N'-diacetylbacillosaminyl-alpha1-diphospho-di-trans,octa-cis-undecaprenol 2,4-diacetamido-2,4,6-trideoxy-alpha-D-glucopyranose-diphospho-tritrans,heptacis-undecaprenol N,N'-Diacetyl-alpha-D-bacillosaminyldiphospho-tritrans,heptacis-undecaprenol N,N'-diacetyl-alpha-D-bacillosaminyl-diphospho-tri-trans,hepta-cis-undecaprenol N,N'-diacetylbacillosaminyl-alpha1-diphospho-tri-trans,hepta-cis-undecaprenol
seedM:M_cpd24251	secondary/obsolete/fantasy identifier