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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > polyol > cyclitol > amino cyclitol > 2-deoxystreptamine derivative > 4-amino-n-[(1r,2s,3r,4r,5s)-5-amino-4-[[(3r,4r,5s,6r)-3-amino-6-(aminomethyl)-4,5-dihydroxy-2-oxanyl]oxy]-3-[[(3r,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]oxy]-2-hydroxycyclohexyl]-2-hydroxybutanamide
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > polyol > cyclitol > amino cyclitol > 2-deoxystreptamine derivative > 4-amino-n-[(1r,2s,3r,4r,5s)-5-amino-4-[[(3r,4r,5s,6r)-3-amino-6-(aminomethyl)-4,5-dihydroxy-2-oxanyl]oxy]-3-[[(3r,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]oxy]-2-hydroxycyclohexyl]-2-hydroxybutanamide

Preferred term

4-amino-n-[(1r,2s,3r,4r,5s)-5-amino-4-[[(3r,4r,5s,6r)-3-amino-6-(aminomethyl)-4,5-dihydroxy-2-oxanyl]oxy]-3-[[(3r,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]oxy]-2-hydroxycyclohexyl]-2-hydroxybutanamide  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C21H41N5O12

inchi

  • InChI=1S/C21H41N5O12/c22-2-1-8(28)19(34)26-7-3-6(24)17(37-20-11(25)15(32)13(30)9(4-23)35-20)18(12(7)29)38-21-16(33)14(31)10(5-27)36-21/h6-18,20-21,27-33H,1-5,22-25H2,(H,26,34)/t6-,7+,8?,9+,10+,11+,12-,13+,14?,15+,16+,17+,18+,20?,21?/m0/s1

inchikey

  • XEQLFNPSYWZPOW-KMFMAWCJSA-N

mass

  • 555.577

monoisotopicmass

  • 555.27517

smiles

  • C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1NC(=O)C(CCN)O)O)OC2[C@@H](C([C@H](O2)CO)O)O)OC3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)N)N

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:94451

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