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dTDP-3-acetamido-3,6-dideoxy-alpha-D-glucose

MNXM149036 is deprecated and replaced by MNXM1100489
PropertiesImage
MNX_IDMNXM1100489 Image of MNXM1100489
referencekeggC:C22257
formulaC18H29N3O15P2
global charge0
mol weight589.384
InChIKeyCWQDRZJUANNJKC-NMSPNFBVSA-N
InChIInChI=1S/C18H29N3O15P2/c1-7-5-21(18(27)20-16(7)26)12-4-10(23)11(34-12)6-32-37(28,29)36-38(30,31)35-17-15(25)13(19-9(3)22)14(24)8(2)33-17/h5,8,10-15,17,23-25H,4,6H2,1-3H3,(H,19,22)(H,28,29)(H,30,31)(H,20,26,27)/t8-,10+,11-,12-,13+,14-,15-,17-/m1/s1
SMILESCC(=O)N[C@@H]1[C@@H](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)O[C@H](C)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C18H29N3O15P2/c1-7-5-21(18(27)20-16(7)26)12-4-10(23)11(34-12)6-32-37(28,29)36-38(30,31)35-17-15(25)13(19-9(3)22)14(24)8(2)33-17/h5,8,10-15,17,23-25H,4,6H2,1-3H3,(H,19,22)(H,28,29)(H,30,31)(H,20,26,27)/t8-,10+,11-,12-,13+,14-,15-,17-/m1/s1 Image of MNXM1100489
SMILES (mnx)[CH3:1][C:7]1=[CH:5][N:21]([C@H:12]2[CH2:4][C@H:10]([OH:23])[C@@H:11]([CH2:6][O:32][P:37]([OH:28])(=[O:29])[O:36][P:38]([OH:30])(=[O:31])[O:35][C@@H:17]3[C@H:15]([OH:25])[C@@H:13]([N:19]=[C:9]([CH3:3])[OH:22])[C@H:14]([OH:24])[C@@H:8]([CH3:2])[O:33]3)[O:34]2)[C:18](=[O:27])[N:20]=[C:16]1[OH:26]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

kegg.compound:C22257
keggC:C22257
CWQDRZJUANNJKC-NMSPNFBVSA-N 		dTDP-3-acetamido-3,6-dideoxy-alpha-D-glucose
dTDP-D-Qui3NAc

seed.compound:cpd32301
seedM:cpd32301
CWQDRZJUANNJKC-NMSPNFBVSA-L 		dTDP-3-acetamido-3,6-dideoxy-alpha-D-glucopyranose
dTDP-3-acetamido-3,6-dideoxy-alpha-D-glucose

metacyc.compound:CPD-15598
metacycM:CPD-15598
CWQDRZJUANNJKC-NMSPNFBVSA-L 		dTDP-3-acetamido-3,6-dideoxy-alpha-D-glucopyranose
dTDP-3-acetamido-3,6-dideoxy-alpha-D-glucose
dTDP-D-Qui3NAc
dTDP-Qui3NAc

keggC:M_C22257
seedM:M_cpd32301 		secondary/obsolete/fantasy identifier