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N-Acetyl-beta-D-mannosaminyl-1,4-N-acetyl-D-glucosaminyldiphosphoundecaprenol

MNXM2843 is deprecated and here replaced by MNXM1368941
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1368941 Image of MNXM1368941
referencekeggC:C04881
formulaC71H118N2O17P2
global charge0
mol weight1333.67
InChIKeyCALMUTCFVFZDOC-BHUBDZAQSA-N
InChIInChI=1S/C71H118N2O17P2/c1-49(2)25-15-26-50(3)27-16-28-51(4)29-17-30-52(5)31-18-32-53(6)33-19-34-54(7)35-20-36-55(8)37-21-38-56(9)39-22-40-57(10)41-23-42-58(11)43-24-44-59(12)45-46-85-91(81,82)90-92(83,84)89-71-65(73-61(14)77)68(80)69(63(48-75)87-71)88-70-64(72-60(13)76)67(79)66(78)62(47-74)86-70/h25,27,29,31,33,35,37,39,41,43,45,62-71,74-75,78-80H,15-24,26,28,30,32,34,36,38,40,42,44,46-48H2,1-14H3,(H,72,76)(H,73,77)(H,81,82)(H,83,84)/b50-27+,51-29+,52-31-,53-33-,54-35-,55-37-,56-39-,57-41-,58-43-,59-45-/t62-,63-,64+,65-,66-,67-,68-,69-,70+,71-/m1/s1
SMILESCC(=O)N[C@@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[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)CC/C=C(\C)CCC=C(C)C)O[C@@H]2CO)O[C@H](CO)[C@@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C71H118N2O17P2/c1-49(2)25-15-26-50(3)27-16-28-51(4)29-17-30-52(5)31-18-32-53(6)33-19-34-54(7)35-20-36-55(8)37-21-38-56(9)39-22-40-57(10)41-23-42-58(11)43-24-44-59(12)45-46-85-91(81,82)90-92(83,84)89-71-65(73-61(14)77)68(80)69(63(48-75)87-71)88-70-64(72-60(13)76)67(79)66(78)62(47-74)86-70/h25,27,29,31,33,35,37,39,41,43,45,62-71,74-75,78-80H,15-24,26,28,30,32,34,36,38,40,42,44,46-48H2,1-14H3,(H,72,76)(H,73,77)(H,81,82)(H,83,84)/b50-27+,51-29+,52-31-,53-33-,54-35-,55-37-,56-39-,57-41-,58-43-,59-45-/t62-,63-,64+,65-,66-,67-,68-,69-,70+,71-/m1/s1 Image of MNXM1368941
SMILES (mnx)[CH3:1][C:49]([CH3:2])=[CH:25][CH2:15][CH2:26]/[C:50]([CH3:3])=[CH:27]/[CH2:16][CH2:28]/[C:51]([CH3:4])=[CH:29]/[CH2:17][CH2:30]/[C:52]([CH3:5])=[CH:31]\[CH2:18][CH2:32]/[C:53]([CH3:6])=[CH:33]\[CH2:19][CH2:34]/[C:54]([CH3:7])=[CH:35]\[CH2:20][CH2:36]/[C:55]([CH3:8])=[CH:37]\[CH2:21][CH2:38]/[C:56]([CH3:9])=[CH:39]\[CH2:22][CH2:40]/[C:57]([CH3:10])=[CH:41]\[CH2:23][CH2:42]/[C:58]([CH3:11])=[CH:43]\[CH2:24][CH2:44]/[C:59]([CH3:12])=[CH:45]\[CH2:46][O:85][P:91]([OH:81])(=[O:82])[O:90][P:92]([OH:83])(=[O:84])[O:89][C@@H:71]1[C@H:65]([N:73]=[C:61]([CH3:14])[OH:77])[C@@H:68]([OH:80])[C@H:69]([O:88][C@H:70]2[C@@H:64]([N:72]=[C:60]([CH3:13])[OH:76])[C@@H:67]([OH:79])[C@H:66]([OH:78])[C@@H:62]([CH2:47][OH:74])[O:86]2)[C@@H:63]([CH2:48][OH:75])[O:87]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

kegg.compound:C04881
keggC:C04881
CALMUTCFVFZDOC-BHUBDZAQSA-N 		N-Acetyl-beta-D-mannosaminyl-1,4-N-acetyl-D-glucosaminyldiphosphoundecaprenol
N-Acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditrans,octacis-undecaprenol

keggC:M_C04881 		secondary/obsolete/fantasy identifier