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validoxylamine A

Properties

Image

Occurences in reactions

MNX_ID

MNXM13249

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

formula

C₁₄H₂₆NO₈

charge

mass

336.16529

reference

InChIKey

YCJYNBLLJHFIIW-MBABXGOBSA-O

InChI

InChI=1S/C14H25NO8/c16-3-5-1-7(11(20)13(22)9(5)18)15-8-2-6(4-17)10(19)14(23)12(8)21/h1,6-23H,2-4H2/p+1/t6-,7+,8+,9-,10-,11+,12+,13+,14+/m1/s1

SMILES

OCC1=C[C@H]([NH2+][C@H]2C[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:111505 chebi:111505	validoxylamine A (1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-N-[(1S,2S,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]cyclohex-2-en-1-aminium validoxylamine A(1+)
kegg.compound:C17700 keggC:C17700	Validoxylamine A
CHEBI:131941 chebi:131941	validoxylamine A (+)-validoxylamine A (1S,2S,3R,6S)-4-(hydroxymethyl)-6-{[(1S,2S,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}cyclohex-4-ene-1,2,3-triol
metacyc.compound:CPD-9669 metacycM:CPD-9669 seed.compound:cpd25783 seedM:cpd25783	validoxylamine A (1S,2S,3R,6S)-4-(hydroxymethyl)-6-{[(1S,2S,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}cyclohex-4-ene-1,2,3-triol
keggC:M_C17700 seedM:M_cpd25783	secondary/obsolete/fantasy identifier