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geneticin

MNXM54848 is deprecated and here replaced by MNXM738020
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM738020 Image of MNXM738020
referencechebi:195256
formulaC20H44N4O10
global charge4
mol weight500.59
InChIKeyBRZYSWJRSDMWLG-CAXSIQPQSA-R
InChIInChI=1S/C20H40N4O10/c1-6(25)14-11(27)10(26)9(23)18(32-14)33-15-7(21)4-8(22)16(12(15)28)34-19-13(29)17(24-3)20(2,30)5-31-19/h6-19,24-30H,4-5,21-23H2,1-3H3/p+4/t6?,7-,8+,9+,10+,11-,12-,13+,14+,15+,16-,17+,18+,19+,20-/m0/s1
SMILESC[NH2+][C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H](C(C)O)[C@@H](O)[C@H](O)[C@H]3[NH3+])[C@@H]([NH3+])C[C@H]2[NH3+])OC[C@]1(C)O
MNX internals
InChI (mnx)InChI=1/C20H40N4O10/c1-6(25)14-11(27)10(26)9(23)18(32-14)33-15-7(21)4-8(22)16(12(15)28)34-19-13(29)17(24-3)20(2,30)5-31-19/h6-19,24-30H,4-5,21-23H2,1-3H3/t6?,7-,8+,9+,10+,11-,12-,13+,14+,15+,16-,17+,18+,19+,20-/m0/s1 Image of MNXM738020
SMILES (mnx)[CH3:1][CH:6]([C@@H:14]1[C@@H:11]([OH:27])[C@H:10]([OH:26])[C@@H:9]([NH2:23])[C@@H:18]([O:33][C@@H:15]2[C@@H:7]([NH2:21])[CH2:4][C@@H:8]([NH2:22])[C@H:16]([O:34][C@@H:19]3[C@H:13]([OH:29])[C@@H:17]([NH:24][CH3:3])[C@@:20]([CH3:2])([OH:30])[CH2:5][O:31]3)[C@H:12]2[OH:28])[O:32]1)[OH:25]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:195256
chebi:195256
BRZYSWJRSDMWLG-CAXSIQPQSA-R 		geneticin
G418
geneticin cation(4+)

seed.compound:cpd17805
seedM:cpd17805
BRZYSWJRSDMWLG-CAXSIQPQSA-R 		G418
Antibiotic G-418
G-418
Geneticin
geneticin

CHEBI:42768
chebi:42768
BRZYSWJRSDMWLG-CAXSIQPQSA-N 		geneticin
(1R,2S,3S,4R,6S)-4,6-diamino-3-[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyloxy]-2-hydroxycyclohexyl 2-amino-2,7-dideoxy-D-glycero-alpha-D-gluco-heptopyranoside
G 418
G418
GENETICIN
Geneticin
antibiotic G 418

metacyc.compound:CPD-14209
metacycM:CPD-14209
BRZYSWJRSDMWLG-CAXSIQPQSA-R 		geneticin
G-418

chebi:33028
chebi:42764
seedM:M_cpd17805 		secondary/obsolete/fantasy identifier