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dTDP-beta-L-evernosamine

MNXM145708 is deprecated and replaced by MNXM1100369
PropertiesImage
MNX_IDMNXM1100369 Image of MNXM1100369
referencechebi:77144
formulaC18H30N3O13P2
global charge-1
mol weight558.394
InChIKeyQEQCMOGEDCECSI-JGQKHYKVSA-M
InChIInChI=1S/C18H31N3O13P2/c1-9-7-21(17(24)20-16(9)23)13-5-11(22)12(32-13)8-30-35(25,26)34-36(27,28)33-14-6-18(3,19)15(29-4)10(2)31-14/h7,10-15,22H,5-6,8,19H2,1-4H3,(H,25,26)(H,27,28)(H,20,23,24)/p-1/t10-,11-,12+,13+,14+,15-,18-/m0/s1
SMILESCO[C@H]1[C@H](C)O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C)C(=O)NC3=O)C[C@@H]2O)C[C@]1(C)[NH3+]
MNX internals
InChI (mnx)InChI=1/C18H31N3O13P2/c1-9-7-21(17(24)20-16(9)23)13-5-11(22)12(32-13)8-30-35(25,26)34-36(27,28)33-14-6-18(3,19)15(29-4)10(2)31-14/h7,10-15,22H,5-6,8,19H2,1-4H3,(H,25,26)(H,27,28)(H,20,23,24)/t10-,11-,12+,13+,14+,15-,18-/m0/s1 Image of MNXM1100369
SMILES (mnx)[CH3:1][C:9]1=[CH:7][N:21]([C@H:13]2[CH2:5][C@H:11]([OH:22])[C@@H:12]([CH2:8][O:30][P:35]([OH:25])(=[O:26])[O:34][P:36]([OH:27])(=[O:28])[O:33][C@@H:14]3[CH2:6][C@:18]([CH3:3])([NH2:19])[C@@H:15]([O:29][CH3:4])[C@H:10]([CH3:2])[O:31]3)[O:32]2)[C:17](=[O:24])[N:20]=[C:16]1[OH:23]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:77144
chebi:77144
QEQCMOGEDCECSI-JGQKHYKVSA-M 		dTDP-beta-L-evernosamine
dTDP-beta-L-evernosamine(1-)

metacyc.compound:CPD-16433
metacycM:CPD-16433
QEQCMOGEDCECSI-JGQKHYKVSA-M 		dTDP-beta-L-evernosamine

seed.compound:cpd31332
seedM:cpd31332
kegg.compound:C20765
keggC:C20765
QEQCMOGEDCECSI-JGQKHYKVSA-M
QEQCMOGEDCECSI-JGQKHYKVSA-N 		dTDP-beta-L-evernosamine
dTDP-3-amino-2,3,6-trideoxy-3-C-methyl-4-O-methyl-beta-L-arabino-hexopyranose

CHEBI:77285
chebi:77285
QEQCMOGEDCECSI-JGQKHYKVSA-N 		dTDP-beta-L-evernosamine
dTDP-3-amino-2,3,6-trideoxy-3-methyl-4-O-methyl-beta-L-arabino-arabino-hexopyranose

keggC:M_C20765
seedM:M_cpd31332 		secondary/obsolete/fantasy identifier