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

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volemitol

	Properties	Image
MNX_ID	MNXM89030
reference	chebi:10017
formula	C₇H₁₆O₇
global charge	0
mol weight	212.198
InChIKey	OXQKEKGBFMQTML-KVTDHHQDSA-N
InChI	InChI=1S/C7H16O7/c8-1-3(10)5(12)7(14)6(13)4(11)2-9/h3-14H,1-2H2/t3-,4-,5-,6-/m1/s1
SMILES	OC[C@@H](O)[C@@H](O)C(O)[C@H](O)[C@H](O)CO

MNX internals

InChI (mnx)	InChI=1/C7H16O7/c8-1-3(10)5(12)7(14)6(13)4(11)2-9/h3-14H,1-2H2/t3-,4-,5-,6-/m1/s1
SMILES (mnx)	[CH2:1]([C@H:3]([C@H:5]([CH:7]([C@@H:6]([C@@H:4]([CH2:2][OH:9])[OH:11])[OH:13])[OH:14])[OH:12])[OH:10])[OH:8]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:10017 chebi:10017 OXQKEKGBFMQTML-KVTDHHQDSA-N	volemitol (2R,3R,5R,6R)-heptane-1,2,3,4,5,6,7-heptol D-glycero-D-manno-Heptitol
seed.compound:cpd05176 seedM:cpd05176 OXQKEKGBFMQTML-KVTDHHQDSA-N	Volemitol (2R,3R,5R,6R)-heptane-1,2,3,4,5,6,7-heptol D-Glycero-D-manno-heptitol D-glycero-D-manno-Heptitol volemitol
sabiork.compound:10360 sabiorkM:10360 kegg.compound:C08260 keggC:C08260 OXQKEKGBFMQTML-KVTDHHQDSA-N	Volemitol D-glycero-D-manno-Heptitol
metacyc.compound:CPD-19829 metacycM:CPD-19829 OXQKEKGBFMQTML-KVTDHHQDSA-N	volemitol (2R,3R,5R,6R)-heptane-1,2,3,4,5,6,7-heptol
keggC:M_C08260 seedM:M_cpd05176	secondary/obsolete/fantasy identifier