Feedback

(2S,3S,5R,10R,12S,14S,15R,16R)-2-amino-12,16-dimethylicosane-3,5,10,14,15-pentol

Properties

Image

Occurences in reactions

MNX_ID

MNXM4173

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₂₂H₄₈NO₅

charge

mass

406.3527

reference

chebi:62526

InChIKey

UWWVLQOLROBFTD-GADKELDLSA-O

InChI

InChI=1S/C22H47NO5/c1-5-6-9-16(3)22(28)21(27)13-15(2)12-18(24)10-7-8-11-19(25)14-20(26)17(4)23/h15-22,24-28H,5-14,23H2,1-4H3/p+1/t15-,16+,17-,18+,19+,20-,21-,22+/m0/s1

SMILES

CCCC[C@@H](C)[C@@H](O)[C@@H](O)C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)[NH3+]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:62526 chebi:62526	(2S,3S,5R,10R,12S,14S,15R,16R)-2-amino-12,16-dimethylicosane-3,5,10,14,15-pentol (2S,3S,5R,10R,12S,14S,15R,16R)-2-amino-12,16-dimethylicosane-3,5,10,14,15-pentol(1+) (2S,3S,5R,10R,12S,14S,15R,16R)-3,5,10,14,15-pentahydroxy-12,16-dimethylicosan-2-aminium HFB1(1+) aminopentol(1+)
CHEBI:62519 chebi:62519	(2S,3S,5R,10R,12S,14S,15R,16R)-2-amino-12,16-dimethylicosane-3,5,10,14,15-pentol AP1 HFB1 aminopentol
seed.compound:cpd21049 seedM:cpd21049	Aminopentol (2S,3S,5R,10R,12S,14S,15R,16R)-2-amino-12,16-dimethylicosane-3,5,10,14,15-pentol AP1 AP1 metabolite aminopentol
kegg.compound:C19805 keggC:C19805	Aminopentol AP1
metacyc.compound:CPD-13182 metacycM:CPD-13182	aminopentol (2S,3S,5R,10R,12S,14S,15R,16R)-2-amino-12,16-dimethylicosane-3,5,10,14,15-pentol AP1 metabolite
keggC:M_C19805 seedM:M_cpd21049	secondary/obsolete/fantasy identifier