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PGL-tb

PropertiesImage
MNX_IDMNXM168848 Image of MNXM168848
referencemetacycM:CPD-18579
formulaC101H181O18*6
global charge0
mol weight 
InChIKey 
InChI 
SMILES[*]CCCCCCCCCCCCC[C@@H]([*])C[C@@H](C)C[C@@H](C)C[C@@H](C)C(=O)O[C@H](CCCCCCCCCCCCC[*]C1=CC=C(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O[C@@H]4O[C@@H](C)[C@@H](OC)[C@@H](OC)[C@@H]4OC)[C@H]3O)[C@H]2OC)C=C1)C[C@@H](CCCC[C@H](C)[C@@H](C[*])OC)OC(=O)[C@H](C)C[C@H](C)C[C@H](C)C[C@H]([*])CCCCCCCCCCCCC[*]
MNX internals
InChI (mnx)InChI=1/C107H198O18/c1-21-24-26-28-30-32-34-38-42-46-50-54-60-77(4)70-79(6)72-81(8)74-84(11)103(111)121-91(76-92(65-59-58-62-83(10)93(23-3)113-16)122-104(112)85(12)75-82(9)73-80(7)71-78(5)61-55-51-47-43-39-35-33-31-29-27-25-22-2)64-57-53-49-45-41-37-36-40-44-48-52-56-63-89-66-68-90(69-67-89)123-106-101(116-19)99(95(109)87(14)119-106)125-105-96(110)98(94(108)86(13)118-105)124-107-102(117-20)100(115-18)97(114-17)88(15)120-107/h66-69,77-88,91-102,105-110H,21-65,70-76H2,1-20H3/t77-,78-,79-,80-,81-,82-,83+,84-,85-,86+,87+,88+,91-,92-,93-,94+,95+,96-,97-,98-,99-,100-,101-,102+,105+,106+,107+/m1/s1/i1+1,2+1,3+1,4+1,5+1,63+1 Image of MNXM168848
SMILES (mnx)[13CH3:1][CH2:21][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:38][CH2:42][CH2:46][CH2:50][CH2:54][CH2:60][C@@H:77]([13CH3:4])[CH2:70][C@@H:79]([CH3:6])[CH2:72][C@@H:81]([CH3:8])[CH2:74][C@@H:84]([CH3:11])[C:103](=[O:111])[O:121][C@H:91]([CH2:64][CH2:57][CH2:53][CH2:49][CH2:45][CH2:41][CH2:37][CH2:36][CH2:40][CH2:44][CH2:48][CH2:52][CH2:56][13CH2:63][C:89]1=[CH:67][CH:69]=[C:90]([O:123][C@H:106]2[C@H:101]([O:116][CH3:19])[C@H:99]([O:125][C@H:105]3[C@H:96]([OH:110])[C@H:98]([O:124][C@H:107]4[C@@H:102]([O:117][CH3:20])[C@H:100]([O:115][CH3:18])[C@H:97]([O:114][CH3:17])[C@H:88]([CH3:15])[O:120]4)[C@@H:94]([OH:108])[C@H:86]([CH3:13])[O:118]3)[C@@H:95]([OH:109])[C@H:87]([CH3:14])[O:119]2)[CH:68]=[CH:66]1)[CH2:76][C@@H:92]([CH2:65][CH2:59][CH2:58][CH2:62][C@H:83]([CH3:10])[C@@H:93]([CH2:23][13CH3:3])[O:113][CH3:16])[O:122][C:104]([C@H:85]([CH3:12])[CH2:75][C@H:82]([CH3:9])[CH2:73][C@H:80]([CH3:7])[CH2:71][C@H:78]([13CH3:5])[CH2:61][CH2:55][CH2:51][CH2:47][CH2:43][CH2:39][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:22][13CH3:2])=[O:112]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-18579
metacycM:CPD-18579 		PGL-tb
a [2,3,4-tri-O-methyl-alpha-L-fucopyranosyl-(1->3)-alpha-L-rhamnopyranosyl-(1->3)-2-O-methyl-alpha-L-rhamnopyranosyl] dimycocerosyl phenol-phthiocerol
dimycocerosyl triglycosyl phenolphthiocerol
triglycosyl dimycocerosyl phenolphthiocerol