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galactopinitol A

PropertiesImage
MNX_IDMNXM17987 Image of MNXM17987
referencechebi:139380
formulaC13H24O11
global charge0
mol weight356.324
InChIKeyWFSVEMFCPALUBB-GDYURJOXSA-N
InChIInChI=1S/C13H24O11/c1-22-11-7(18)6(17)8(19)12(10(11)21)24-13-9(20)5(16)4(15)3(2-14)23-13/h3-21H,2H2,1H3/t3-,4+,5+,6-,7+,8+,9-,10+,11-,12+,13-/m1/s1
SMILESCO[C@H]1[C@H](O)[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C13H24O11/c1-22-11-7(18)6(17)8(19)12(10(11)21)24-13-9(20)5(16)4(15)3(2-14)23-13/h3-21H,2H2,1H3/t3-,4+,5+,6-,7+,8+,9-,10+,11-,12+,13-/m1/s1 Image of MNXM17987
SMILES (mnx)[CH3:1][O:22][C@@H:11]1[C@@H:7]([OH:18])[C@@H:6]([OH:17])[C@H:8]([OH:19])[C@H:12]([O:24][C@@H:13]2[C@H:9]([OH:20])[C@@H:5]([OH:16])[C@@H:4]([OH:15])[C@@H:3]([CH2:2][OH:14])[O:23]2)[C@H:10]1[OH:21]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:139380
chebi:139380
WFSVEMFCPALUBB-GDYURJOXSA-N 		galactopinitol A
hmdb:HMDB0039475
WFSVEMFCPALUBB-GDYURJOXSA-N 		Galactopinitol A
(1S,2R,3S,4R,5S,6S)-4-methoxy-6-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexane-1,2,3,5-tetrol
2-O-alpha-D-Galactopyranoside 3-O-methyl-D-chiro-inositol
2-O-alpha-D-Galactopyranoside 4-O-methyl-D-chiro-inositol
Galactopinitol a
O-alpha-D-Galactopyranosyl-(1-2)-4-O-methyl-D-chiro-inositol
O-alpha-D-galactopyranosyl-(1->2)-4-O-methyl-chiro-inositol

seed.compound:cpd25011
seedM:cpd25011
WFSVEMFCPALUBB-GDYURJOXSA-N 		O-alpha-D-galactopyranosyl-(1->2)-4-O-methyl-chiro-inositol
galactopinitol A

metacyc.compound:CPD-8047
metacycM:CPD-8047
WFSVEMFCPALUBB-GDYURJOXSA-N 		galactopinitol A
O-alpha-D-galactopyranosyl-(1->2)-4-O-methyl-chiro-inositol

hmdb:HMDB39475
seedM:M_cpd25011 		secondary/obsolete/fantasy identifier