Kasugamycin

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Systematic / IUPAC Name: (2R,3S,5S,6S)-2,3,4,5,6-Pentahydroxycyclohexyl 2-amino-4-{(Z)-[amino(carboxy)methylene]amino}-2,3,4,6-tetradeoxy-α-D-arabino-hexopyranoside

ID: Reference6223

Other Names: {N'-[(2R,3S,5S,6R)-5-Amino-2-methyl-6-{[(2R,3S,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}oxan-3-yl]carbamimidoyl}formic acid ;
D-chiro-Inositol, 3-O-{2-amino-4-[(carboxyiminomethyl)amino]-2,3,4,6-tetradeoxy-α-D-arabino-hexopyranosyl}-

Formula: C14H25N3O9

Class: Endogenous Metabolites

Spectral Data

Kasugamycin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 1426
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers IT; FT
Last Modification 1/18/2017 8:52:07 AM
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Identificators

InChI InChI=1S/C14H25N3O9/c1-3-5(17-12(16)13(23)24)2-4(15)14(25-3)26-11-9(21)7(19)6(18)8(20)10(11)22/h3-11,14,18-22H,2,15H2,1H3,(H2,16,17)(H,23,24)/t3-,4+,5+,6?,7+,8+,9-,10+,11?,14-/m1/s1
InChI Key PVTHJAPFENJVNC-UQTMRZPGSA-N
Canonical SMILES CC1C(CC(C(O1)OC2C(C(C(C(C2O)O)O)O)O)N)N=C(C(=O)O)N
CAS
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Other Names {N'-[(2R,3S,5S,6R)-5-Amino-2-methyl-6-{[(2R,3S,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}oxan-3-yl]carbamimidoyl}formic acid ;
D-chiro-Inositol, 3-O-{2-amino-4-[(carboxyiminomethyl)amino]-2,3,4,6-tetradeoxy-α-D-arabino-hexopyranosyl}-

In Other Databases

ChemIDPlus 006980183
ChemSpider 58676
PubChem 65174
Wikipedia Kasugamycin