MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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melibiitol

MNXM61338 is deprecated and here replaced by MNXM738846
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM738846
reference	chebi:27527
formula	C₁₂H₂₄O₁₁
global charge	0
mol weight	344.313
InChIKey	PYZZIILDSAJNLZ-QZNPSGCDSA-N
InChI	InChI=1S/C12H24O11/c13-1-4(14)7(16)8(17)5(15)2-22-3-6-9(18)10(19)11(20)12(21)23-6/h4-21H,1-3H2/t4-,5+,6-,7-,8-,9+,10+,11-,12+/m1/s1
SMILES	OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)COC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O

MNX internals

InChI (mnx)	InChI=1/C12H24O11/c13-1-4(14)7(16)8(17)5(15)2-22-3-6-9(18)10(19)11(20)12(21)23-6/h4-21H,1-3H2/t4-,5+,6-,7-,8-,9+,10+,11-,12+/m1/s1
SMILES (mnx)	[CH2:1]([C@H:4]([C@H:7]([C@@H:8]([C@H:5]([CH2:2][O:22][CH2:3][C@@H:6]1[C@H:9]([OH:18])[C@H:10]([OH:19])[C@@H:11]([OH:20])[C@@H:12]([OH:21])[O:23]1)[OH:15])[OH:17])[OH:16])[OH:14])[OH:13]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:27527 chebi:27527 PYZZIILDSAJNLZ-QZNPSGCDSA-N	melibiitol 6-O-(1-deoxy-D-glucitol-1-yl)-alpha-D-galactopyranose 6-O-(D-gluco-2,3,4,5,6-pentahydroxyhexyl)-alpha-D-galactopyranose 6-O-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]-alpha-D-galactopyranose 6-O-alpha-D-Galactosyl-D-glucitol Melibiitol
vmhM:mlbtl vmhmetabolite:mlbtl PYZZIILDSAJNLZ-QZNPSGCDSA-N	Melibiitol
hmdb:HMDB0006791 PYZZIILDSAJNLZ-QZNPSGCDSA-N	Melibiitol (2R,3R,4R,5S)-6-{[(2R,3R,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy}hexane-1,2,3,4,5-pentol 6-O-(D-Gluco-2,3,4,5,6-pentahydroxyhexyl)-a-D-galactopyranose 6-O-(D-Gluco-2,3,4,5,6-pentahydroxyhexyl)-alpha-D-galactopyranose 6-O-[(2S,3R,4R,5R)-2,3,4,5,6-Pentahydroxyhexyl]-a-D-galactopyranose 6-O-[(2S,3R,4R,5R)-2,3,4,5,6-Pentahydroxyhexyl]-alpha-D-galactopyranose 6-O-a-D-Galactosyl-D-glucitol 6-O-alpha-D-Galactosyl-D-glucitol 6-O-alpha-D-galactosyl-D-glucitol 6-O-alpha-delta-Galactosyl-delta-glucitol melibiitol
hmdb:HMDB06791 chebi:25181 chebi:6732 vmhM:M_mlbtl	secondary/obsolete/fantasy identifier