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raffinose

MNXM621 is deprecated and here replaced by MNXM1108339
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM1108339

	#reac
in my sandbox	0
in MNXref (generic)	32
in models (compartimentalized)	14

formula

C₁₈H₃₂O₁₆

charge

mass

504.16903

reference

chebi:16634

InChIKey

MUPFEKGTMRGPLJ-ZQSKZDJDSA-N

InChI

InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16+,17-,18+/m1/s1

SMILES

OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:16634 chebi:16634	raffinose 6G-alpha-D-galactosylsucrose Gossypose Melitose Melitriose Raffinose alpha-D-Galp-(1->6)-alpha-D-Glcp-(1<->2)-beta-D-Fruf alpha-D-galactopyranosyl-(1->6)-alpha-D-glucopyranosyl beta-D-fructofuranoside beta-D-fructofuranosyl alpha-D-galactopyranosyl-(1->6)-alpha-D-glucopyranoside rafinose raflinose
seed.compound:cpd00382 seedM:cpd00382	Melitose (2S,3R,4S,5S,6R)-2-[[(2R,3R,4S,5R,6R)-6-[(2S,3S,4R,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxy-oxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol 6G-alpha-D-galactosylsucrose D-Raffinose D-raffinose Gossypose Melitriose Raffinose alpha-D-Galp-(1->6)-alpha-D-Glcp-(1->2)-beta-D-Fruf alpha-D-galactopyranosyl-(1->6)-alpha-D-glucopyranosyl-(1->2)-beta-D-fructofuranoside gossypose melitose melitriose raffin raffinose
bigg.metabolite:raffin biggM:raffin kegg.glycan:G00249 keggG:G00249	Raffinose
hmdb:HMDB0003213	Raffinose (2R,3R,4S,5S,6R)-2-{[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-6-({[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol 6g-a-D-Galactosylsucrose 6g-alpha-D-Galactosylsucrose 6g-alpha-D-galactosylsucrose D-(+)-Raffinose D-Raffinose Gossypose Melitose Melitriose Rafinose Raflinose a-D-Galactopyranosyl-(1->6)-a-D-glucopyranosyl b-D-fructofuranoside a-D-Galp-(1->6)-a-D-GLCP-(12)-b-D-fruf alpha-D-Galactopyranosyl-(1->6)-alpha-D-glucopyranosyl beta-D-fructofuranoside alpha-D-Galp-(1->6)-alpha-D-GLCP-(12)-beta-D-fruf alpha-D-galactopyranosyl-(1->6)-alpha-D-glucopyranosyl beta-D-fructofuranoside alpha-D-galp-(1->6)-alpha-D-GLCP-(12)-beta-D-fruf beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1->6)-alpha-D-glucopyranoside beta-D-fructofuranosyl O-alpha-D-galactopyranosyl-(1->6)-alpha-D-glucopyranoside raffinose
sabiork.compound:1528 sabiorkM:1528	Raffinose 6G-alpha-D-Galactosylsucrose 6G-alpha-D-galactosylsucrose Gossypose Melitose Melitriose
kegg.compound:C00492 keggC:C00492	Raffinose 6G-alpha-D-galactosylsucrose Gossypose Melitose Melitriose
metacyc.compound:CPD-1099 metacycM:CPD-1099	raffinose (2S,3R,4S,5S,6R)-2-[[(2R,3R,4S,5R,6R)-6-[(2S,3S,4R,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxy-oxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol 6G-alpha-D-galactosylsucrose D-raffinose alpha-D-Galp-(1->6)-alpha-D-Glcp-(1->2)-beta-D-Fruf alpha-D-galactopyranosyl-(1->6)-alpha-D-glucopyranosyl-(1->2)-beta-D-fructofuranoside gossypose melitose melitriose
hmdb:HMDB03213 chebi:15015 chebi:26521 chebi:49843 chebi:8771 biggM:M_raffin keggC:M_C00492 keggG:M_G00249 seedM:M_cpd00382	secondary/obsolete/fantasy identifier