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tunicamycin A1

PropertiesImageOccurences in reactions
MNX_IDMNXM1364119Image of MNXM1364119
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC37H60N4O16
charge0
mass816.899
referencemetacycM:CPD-19367
InChIKeyYJQCOFNZVFGCAF-ACCUITESSA-N
InChIInChI=1S/C37H60N4O16/c1-18(2)12-10-8-6-4-5-7-9-11-13-23(45)39-26-30(50)27(47)21(54-36(26)57-35-25(38-19(3)43)29(49)28(48)22(17-42)55-35)16-20(44)33-31(51)32(52)34(56-33)41-15-14-24(46)40-37(41)53/h11,13-15,18,20-22,25-36,42,44,47-52H,4-10,12,16-17H2,1-3H3,(H,38,43)(H,39,45)(H,40,46,53)/b13-11+
SMILES[CH3:1][CH:18]([CH3:2])[CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]/[C:23](=[N:39]/[CH:26]1[CH:30]([OH:50])[CH:27]([OH:47])[CH:21]([CH2:16][CH:20]([CH:33]2[CH:31]([OH:51])[CH:32]([OH:52])[CH:34]([n:41]3[cH:15][cH:14][c:24]([OH:46])[n:40][c:37]3=[O:53])[O:56]2)[OH:44])[O:54][CH:36]1[O:57][CH:35]1[CH:25]([N:38]=[C:19]([CH3:3])[OH:43])[CH:29]([OH:49])[CH:28]([OH:48])[CH:22]([CH2:17][OH:42])[O:55]1)[OH:45]
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IdentifierDescription
metacyc.compound:CPD-19367
metacycM:CPD-19367
tunicamycin A1