RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0160568
RefMet name	Stachyose
Systematic name	O-alpha-D-galactopyranosyl-(1->6)o-alpha-D-galactopyranosyl-(1->6)O-alpha-D-galactopyranosyl-beta-D-fructofuranoside
Synonyms	PubChem Synonyms
Exact mass	666.221865 (neutral)	Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C24H42O21	View other entries in RefMet with this formula
Molecular descriptors
Molfile	38360 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C24H42O21/c25-1-6-10(28)14(32)17(35)21(41-6)39-3-8-11(29)15(33)18(36)22(42-8)40-4-9-12(30)16(34)19(37)23(43-9)45-24(5-27) 20(38)13(31)7(2-26)44-24/h6-23,25-38H,1-5H2/t6-,7-,8-,9-,10+,11+,12-,13-,14+,15+,16+,17-,18-,19-,20+,21+,22+,23-,24+/m1/s1
InChIKey	UQZIYBXSHAGNOE-XNSRJBNMSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](OC[C@@H]3[C@H]([C@@H]([C@H]([C@H](O3)O[C@@]3(CO)[C@H]([C@@H]([C@@H](CO)O3)O)O)O)O)O)O2)O)O)O)O1)O)O)O)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Carbohydrates
Main Class	Oligosaccharides
Sub Class	Oligosaccharides
Distribution of Stachyose in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting Stachyose
External Links
Pubchem CID	439531
ChEBI ID	17164
KEGG ID	C01613
HMDB ID	HMDB0003553
Chemspider ID	388624
MetaCyc ID	CPD-170
EPA CompTox	DTXCID10810814
Spectral data for Stachyose standards
BMRB ID(NMR)	View NMR spectra
NP-MRD ID(NMR)	View NMR spectra
MassBank(EU)	View MS spectra
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Stachyose

Rxn ID	KEGG Reaction	Enzyme
R03418	alpha-D-Galactosyl-(1->3)-1D-myo-inositol + Raffinose <=> myo-Inositol + Stachyose	1-alpha-D-Galactosyl-myo-inositol:raffinose galactosyltransferase
R03634	Stachyose + H2O <=> Raffinose + D-Galactose	Stachyose + H2O <=> Raffinose + D-Galactose

Table of KEGG human pathways containing Stachyose

Pathway ID	Human Pathway	# of reactions
hsa00052	Galactose metabolism	1
hsa01100	Metabolic pathways	1