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dTDP-beta-L-evernitrose

MNXM146559 is deprecated and replaced by MNXM1100768
PropertiesImage
MNX_IDMNXM1100768 Image of MNXM1100768
referencechebi:77141
formulaC18H27N3O15P2
global charge-2
mol weight587.368
InChIKeyUOKMGZNPGFVBLH-JGQKHYKVSA-L
InChIInChI=1S/C18H29N3O15P2/c1-9-7-20(17(24)19-16(9)23)13-5-11(22)12(34-13)8-32-37(27,28)36-38(29,30)35-14-6-18(3,21(25)26)15(31-4)10(2)33-14/h7,10-15,22H,5-6,8H2,1-4H3,(H,27,28)(H,29,30)(H,19,23,24)/p-2/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)[N+](=O)[O-]
MNX internals
InChI (mnx)InChI=1/C18H29N3O15P2/c1-9-7-20(17(24)19-16(9)23)13-5-11(22)12(34-13)8-32-37(27,28)36-38(29,30)35-14-6-18(3,21(25)26)15(31-4)10(2)33-14/h7,10-15,22H,5-6,8H2,1-4H3,(H,27,28)(H,29,30)(H,19,23,24)/t10-,11-,12+,13+,14+,15-,18-/m0/s1 Image of MNXM1100768
SMILES (mnx)[CH3:1][C:9]1=[CH:7][N:20]([C@H:13]2[CH2:5][C@H:11]([OH:22])[C@@H:12]([CH2:8][O:32][P:37]([OH:27])(=[O:28])[O:36][P:38]([OH:29])(=[O:30])[O:35][C@@H:14]3[CH2:6][C@:18]([CH3:3])([N+:21]([O-:25])=[O:26])[C@@H:15]([O:31][CH3:4])[C@H:10]([CH3:2])[O:33]3)[O:34]2)[C:17](=[O:24])[N:19]=[C:16]1[OH:23]
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

CHEBI:77141
chebi:77141
UOKMGZNPGFVBLH-JGQKHYKVSA-L 		dTDP-beta-L-evernitrose
dTDP-2,3,6-trideoxy-3-C-methyl-4-O-methyl-3-nitro-beta-L-arabino-hexopyranose
dTDP-beta-L-evernitrose(2-)

metacyc.compound:CPD-16419
metacycM:CPD-16419
seed.compound:cpd34478
seedM:cpd34478
UOKMGZNPGFVBLH-JGQKHYKVSA-L 		dTDP-beta-L-evernitrose

CHEBI:77269
chebi:77269
UOKMGZNPGFVBLH-JGQKHYKVSA-N 		dTDP-beta-L-evernitrose
dTDP-2,3,6-trideoxy-3-C-methyl-4-O-methyl-3-nitro-beta-L-arabino-hexopyranose

seedM:M_cpd34478 		secondary/obsolete/fantasy identifier