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(N-acetylgalactosaminyl)5-N,N'-diacetylbacillosaminyl-diphospho-tri-trans,hepta-cis-undecaprenol

PropertiesImageOccurences in reactions
MNX_IDMNXM1372087Image of MNXM1372087
#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
formulaC105H171N7O36P2
charge-2
mass2169.482
referencemetacycM:CPD-14258
InChIKeyYGYQMWIRLGPSQQ-XYCGPBIDSA-L
InChIInChI=1S/C105H173N7O36P2/c1-58(2)31-21-32-59(3)33-22-34-60(4)35-23-36-61(5)37-24-38-62(6)39-25-40-63(7)41-26-42-64(8)43-27-44-65(9)45-28-46-66(10)47-29-48-67(11)49-30-50-68(12)51-52-135-149(131,132)148-150(133,134)147-105-88(112-76(20)124)99(82(69(13)136-105)106-70(14)118)146-104-87(111-75(19)123)94(130)98(81(57-117)141-104)145-103-86(110-74(18)122)93(129)97(80(56-116)140-103)144-102-85(109-73(17)121)92(128)96(79(55-115)139-102)143-101-84(108-72(16)120)91(127)95(78(54-114)138-101)142-100-83(107-71(15)119)90(126)89(125)77(53-113)137-100/h31,33,35,37,39,41,43,45,47,49,51,69,77-105,113-117,125-130H,21-30,32,34,36,38,40,42,44,46,48,50,52-57H2,1-20H3,(H,106,118)(H,107,119)(H,108,120)(H,109,121)(H,110,122)(H,111,123)(H,112,124)(H,131,132)(H,133,134)/p-2/b59-33+,60-35+,61-37+,62-39-,63-41-,64-43-,65-45-,66-47-,67-49-,68-51-
SMILES[CH3:1][C:58]([CH3:2])=[CH:31][CH2:21][CH2:32]/[C:59]([CH3:3])=[CH:33]/[CH2:22][CH2:34]/[C:60]([CH3:4])=[CH:35]/[CH2:23][CH2:36]/[C:61]([CH3:5])=[CH:37]/[CH2:24][CH2:38]/[C:62]([CH3:6])=[CH:39]\[CH2:25][CH2:40]/[C:63]([CH3:7])=[CH:41]\[CH2:26][CH2:42]/[C:64]([CH3:8])=[CH:43]\[CH2:27][CH2:44]/[C:65]([CH3:9])=[CH:45]\[CH2:28][CH2:46]/[C:66]([CH3:10])=[CH:47]\[CH2:29][CH2:48]/[C:67]([CH3:11])=[CH:49]\[CH2:30][CH2:50]/[C:68]([CH3:12])=[CH:51]\[CH2:52][O:135][P:149]([OH:131])(=[O:132])[O:148][P:150]([OH:133])(=[O:134])[O:147][CH:105]1[CH:88]([N:112]=[C:76]([CH3:20])[OH:124])[CH:99]([O:146][CH:104]2[CH:87]([N:111]=[C:75]([CH3:19])[OH:123])[CH:94]([OH:130])[CH:98]([O:145][CH:103]3[CH:86]([N:110]=[C:74]([CH3:18])[OH:122])[CH:93]([OH:129])[CH:97]([O:144][CH:102]4[CH:85]([N:109]=[C:73]([CH3:17])[OH:121])[CH:92]([OH:128])[CH:96]([O:143][CH:101]5[CH:84]([N:108]=[C:72]([CH3:16])[OH:120])[CH:91]([OH:127])[CH:95]([O:142][CH:100]6[CH:83]([N:107]=[C:71]([CH3:15])[OH:119])[CH:90]([OH:126])[CH:89]([OH:125])[CH:77]([CH2:53][OH:113])[O:137]6)[CH:78]([CH2:54][OH:114])[O:138]5)[CH:79]([CH2:55][OH:115])[O:139]4)[CH:80]([CH2:56][OH:116])[O:140]3)[CH:81]([CH2:57][OH:117])[O:141]2)[CH:82]([N:106]=[C:70]([CH3:14])[OH:118])[CH:69]([CH3:13])[O:136]1
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
metacyc.compound:CPD-14258
metacycM:CPD-14258 		(N-acetylgalactosaminyl)5-N,N'-diacetylbacillosaminyl-diphospho-tri-trans,hepta-cis-undecaprenol
N-acetylgalactosaminyl-alpha1,4-N-acetylgalactosaminyl-alpha1,4-N-acetylgalactosaminyl-alpha1,4-N-acetylgalactosaminyl-alpha1,4-N-acetylgalactosaminyl-alpha1,3-N,N'-diacetylbacillosaminyl-alpha1-diphospho-tri-trans,hepta-cis-undecaprenol
[GalNAc-alpha-(1->4)]4-GalNAc-alpha-(1->3)-diNAcBac-PP-tritrans,heptacis-undecaprenol