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gentamicin C1a

MNXM4595 is deprecated and here replaced by MNXM736476
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM736476 Image of MNXM736476
referencechebi:58530
formulaC19H44N5O7
global charge5
mol weight454.589
InChIKeyVEGXETMJINRLTH-BOZYPMBZSA-S
InChIInChI=1S/C19H39N5O7/c1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17/h8-18,24-27H,3-7,20-23H2,1-2H3/p+5/t8-,9+,10-,11+,12-,13+,14+,15-,16+,17+,18+,19-/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[NH3+])CC[C@H]3[NH3+])[C@@H]([NH3+])C[C@H]2[NH3+])OC[C@]1(C)O
MNX internals
InChI (mnx)InChI=1/C19H39N5O7/c1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17/h8-18,24-27H,3-7,20-23H2,1-2H3/t8-,9+,10-,11+,12-,13+,14+,15-,16+,17+,18+,19-/m0/s1 Image of MNXM736476
SMILES (mnx)[CH3:1][C@:19]1([OH:27])[CH2:7][O:28][C@H:18]([O:31][C@H:15]2[C@H:11]([NH2:23])[CH2:5][C@H:10]([NH2:22])[C@@H:14]([O:30][C@@H:17]3[C@H:9]([NH2:21])[CH2:4][CH2:3][C@@H:8]([CH2:6][NH2:20])[O:29]3)[C@@H:12]2[OH:25])[C@H:13]([OH:26])[C@H:16]1[NH:24][CH3:2]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:58530
chebi:58530
VEGXETMJINRLTH-BOZYPMBZSA-S 		gentamicin C1a
(1R,2S,3S,4R,6S)-4,6-diammmonio-3-[3-deoxy-4-C-methyl-3-(methylammonio)-beta-L-arabinopyranosyloxy]-2-hydroxycyclohexyl 2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranoside
gentamycin C1a(5+)

sabiork.compound:5308
sabiorkM:5308
kegg.compound:C00908
keggC:C00908
VEGXETMJINRLTH-BOZYPMBZSA-N 		Gentamicin C1a

seed.compound:cpd00674
seedM:cpd00674
VEGXETMJINRLTH-BOZYPMBZSA-S 		Gentamicin C1a
gentamicin C1a
gentamycin C1a

envipath:...56f7c28d2c4c
envipathM:...56f7c28d2c4c
VEGXETMJINRLTH-BOZYPMBZSA-N 		compound 0053799

metacyc.compound:CPD-14216
metacycM:CPD-14216
VEGXETMJINRLTH-BOZYPMBZSA-S 		gentamicin C1a
gentamycin C1a

CHEBI:27784
chebi:27784
VEGXETMJINRLTH-BOZYPMBZSA-N 		gentamycin C1a
(1R,2S,3S,4R,6S)-4,6-diamino-3-[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyloxy]-2-hydroxycyclohexyl 2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranoside
Gentamicin C1a
Gentamycin C12
O-3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1-6)-O-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranosyl-(1-4))-2-deoxy-D-streptamine

chebi:14295
chebi:24210
chebi:43706
chebi:5310
keggC:M_C00908
seedM:M_cpd00674 		secondary/obsolete/fantasy identifier