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N-acetyl-tunicaminyl-uracil

MNXM164942 is deprecated and replaced by MNXM1100878
PropertiesImage
MNX_IDMNXM1100878 Image of MNXM1100878
referencemetacycM:CPD-19364
formulaC17H25N3O11
global charge0
mol weight447.397
InChIKeyMXFGZZZDXPGBMT-HFSNCODJSA-N
InChIInChI=1S/C17H25N3O11/c1-5(21)18-9-11(25)10(24)7(30-16(9)28)4-6(22)14-12(26)13(27)15(31-14)20-3-2-8(23)19-17(20)29/h2-3,6-7,9-16,22,24-28H,4H2,1H3,(H,18,21)(H,19,23,29)/t6?,7-,9-,10+,11-,12+,13-,14-,15-,16?/m1/s1
SMILESCC(=O)N[C@H]1C(O)O[C@H](CC(O)[C@H]2O[C@@H](N3C=CC(=O)NC3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C17H25N3O11/c1-5(21)18-9-11(25)10(24)7(30-16(9)28)4-6(22)14-12(26)13(27)15(31-14)20-3-2-8(23)19-17(20)29/h2-3,6-7,9-16,22,24-28H,4H2,1H3,(H,18,21)(H,19,23,29)/t6?,7-,9-,10+,11-,12+,13-,14-,15-,16?/m1/s1 Image of MNXM1100878
SMILES (mnx)[CH3:1][C:5](=[N:18][C@@H:9]1[C@@H:11]([OH:25])[C@@H:10]([OH:24])[C@@H:7]([CH2:4][CH:6]([C@@H:14]2[C@@H:12]([OH:26])[C@@H:13]([OH:27])[C@H:15]([N:20]3[CH:3]=[CH:2][C:8]([OH:23])=[N:19][C:17]3=[O:29])[O:31]2)[OH:22])[O:30][CH:16]1[OH:28])[OH:21]
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

metacyc.compound:CPD-19364
metacycM:CPD-19364
seed.compound:cpd35446
seedM:cpd35446
MXFGZZZDXPGBMT-HFSNCODJSA-N 		N-acetyl-tunicaminyl-uracil

seedM:M_cpd35446 		secondary/obsolete/fantasy identifier