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raffinose

MNXM621 is deprecated and here replaced by MNXM1108339
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1108339 Image of MNXM1108339
referencechebi:16634
formulaC18H32O16
global charge0
mol weight504.438
InChIKeyMUPFEKGTMRGPLJ-ZQSKZDJDSA-N
InChIInChI=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
SMILESOC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM1108339
SMILES (mnx)[CH2:1]([C@@H:5]1[C@H:8]([OH:22])[C@H:11]([OH:25])[C@@H:13]([OH:27])[C@@H:16]([O:30][CH2:3][C@@H:7]2[C@@H:9]([OH:23])[C@H:12]([OH:26])[C@@H:14]([OH:28])[C@@H:17]([O:34][C@@:18]3([CH2:4][OH:21])[C@@H:15]([OH:29])[C@H:10]([OH:24])[C@@H:6]([CH2:2][OH:20])[O:33]3)[O:32]2)[O:31]1)[OH:19]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)34
in models (compartimentalized) 16
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:16634
chebi:16634
MUPFEKGTMRGPLJ-ZQSKZDJDSA-N 		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
MUPFEKGTMRGPLJ-ZQSKZDJDSA-N 		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
MUPFEKGTMRGPLJ-ZQSKZDJDSA-N 		Raffinose

vmhM:raffin
vmhmetabolite:raffin
MUPFEKGTMRGPLJ-ZQSKZDJDSA-N 		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
hmdb:HMDB0003213
MUPFEKGTMRGPLJ-ZQSKZDJDSA-N 		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
MUPFEKGTMRGPLJ-ZQSKZDJDSA-N 		Raffinose
6G-alpha-D-Galactosylsucrose
6G-alpha-D-galactosylsucrose
Gossypose
Melitose
Melitriose

kegg.compound:C00492
keggC:C00492
MUPFEKGTMRGPLJ-ZQSKZDJDSA-N 		Raffinose
6G-alpha-D-galactosylsucrose
Gossypose
Melitose
Melitriose

metacyc.compound:CPD-1099
metacycM:CPD-1099
MUPFEKGTMRGPLJ-ZQSKZDJDSA-N 		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
vmhM:M_raffin 		secondary/obsolete/fantasy identifier