Terminology Service for NFDI4Health
JSON

2'-deamino-2'-hydroxyneamine(3+)

Go to external page http://purl.obolibrary.org/obo/CHEBI_67213

An organic cation obtained by protonation of the three amino groups of 2'-deamino-2'-hydroxyneamine; major species at pH 7.3.

Term info

Label

2'-deamino-2'-hydroxyneamine(3+)

Synonyms
  • (1R,2R,3S,4R,6S)-4,6-diazaniumyl-2,3-dihydroxycyclohexyl 6-azaniumyl-6-deoxy-alpha-D-glucopyranoside
database cross reference
Subsets

3_STAR

IUPAC NAME
(1R,2R,3S,4R,6S)-4,6-diazaniumyl-2,3-dihydroxycyclohexyl 6-azaniumyl-6-deoxy-alpha-D-glucopyranoside [ IUPAC ]

charge

+3

formula

C12H28N3O7

has obo namespace

chebi_ontology

has related synonym

2'-deamino-2'-hydroxyneamine, (1R,2R,3S,4R,6S)-4,6-diammonio-2,3-dihydroxycyclohexyl 6-ammonio-6-deoxy-alpha-D-glucopyranoside

id

CHEBI:67213

inchi

InChI=1S/C12H25N3O7/c13-2-5-7(17)8(18)10(20)12(21-5)22-11-4(15)1-3(14)6(16)9(11)19/h3-12,16-20H,1-2,13-15H2/p+3/t3-,4+,5-,6+,7-,8+,9-,10-,11-,12-/m1/s1

inchikey

AWRLKTYNEGEURZ-JCLMPDJQSA-Q

mass

326.36660

monoisotopicmass

326.19108

smiles

[NH3+]C[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O