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Netilmicin

MNXM64474 is deprecated and here replaced by MNXM168539
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM168539 Image of MNXM168539
referencekeggC:C07657
formulaC21H41N5O7
global charge0
mol weight475.587
InChIKeyCIDUJQMULVCIBT-MQDUPKMGSA-N
InChIInChI=1S/C21H41N5O7/c1-4-26-13-7-12(24)16(32-19-11(23)6-5-10(8-22)31-19)14(27)17(13)33-20-15(28)18(25-3)21(2,29)9-30-20/h5,11-20,25-29H,4,6-9,22-24H2,1-3H3/t11-,12+,13-,14+,15-,16-,17+,18-,19-,20-,21+/m1/s1
SMILESCCN[C@@H]1C[C@H](N)[C@@H](O[C@H]2OC(CN)=CC[C@H]2N)[C@H](O)[C@H]1O[C@H]1OC[C@](C)(O)[C@H](NC)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C21H41N5O7/c1-4-26-13-7-12(24)16(32-19-11(23)6-5-10(8-22)31-19)14(27)17(13)33-20-15(28)18(25-3)21(2,29)9-30-20/h5,11-20,25-29H,4,6-9,22-24H2,1-3H3/t11-,12+,13-,14+,15-,16-,17+,18-,19-,20-,21+/m1/s1 Image of MNXM168539
SMILES (mnx)[CH3:1][CH2:4][NH:26][C@@H:13]1[CH2:7][C@H:12]([NH2:24])[C@@H:16]([O:32][C@@H:19]2[C@H:11]([NH2:23])[CH2:6][CH:5]=[C:10]([CH2:8][NH2:22])[O:31]2)[C@H:14]([OH:27])[C@H:17]1[O:33][C@@H:20]1[C@H:15]([OH:28])[C@@H:18]([NH:25][CH3:3])[C@@:21]([CH3:2])([OH:29])[CH2:9][O:30]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

seed.compound:cpd04818
seedM:cpd04818
kegg.compound:C07657
keggC:C07657
CIDUJQMULVCIBT-MQDUPKMGSA-N
CIDUJQMULVCIBT-MQDUPKMGSA-S 		Netilmicin

sabiork.compound:26586
sabiorkM:26586
CIDUJQMULVCIBT-MQDUPKMGSA-N 		N-Ethylsisomicin

kegg.drug:D08268
keggD:D08268
CIDUJQMULVCIBT-MQDUPKMGSA-N 		Netilmicin (INN)
Netira (TN)

keggC:M_C07657
keggD:M_D08268
seedM:M_cpd04818 		secondary/obsolete/fantasy identifier