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

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D-allose

	Properties	Image
MNX_ID	MNXM732104
reference	chebi:40822
formula	C₆H₁₂O₆
global charge	0
mol weight	180.156
InChIKey	GZCGUPFRVQAUEE-BGPJRJDNSA-N
InChI	InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5-,6+/m0/s1
SMILES	O=C[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO

MNX internals

InChI (mnx)	InChI=1/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5-,6+/m0/s1
SMILES (mnx)	[CH:1]([C@@H:3]([C@@H:5]([C@@H:6]([C@@H:4]([CH2:2][OH:8])[OH:10])[OH:12])[OH:11])[OH:9])=[O:7]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	8
in models (compartimentalized)	5

Similar chemical compounds in external resources
Identifier	Description
CHEBI:40822 chebi:40822 GZCGUPFRVQAUEE-BGPJRJDNSA-N	D-allose (2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexanal D-ALLOSE WURCS=2.0/1,1,0/[o2222h]/1/ aldehydo-D-allo-hexose aldehydo-D-allose
bigg.metabolite:all__D biggM:all__D sabiork.compound:1486 sabiorkM:1486 GZCGUPFRVQAUEE-BGPJRJDNSA-N	D-Allose
metacyc.compound:D-Allose metacycM:D-Allose GZCGUPFRVQAUEE-BGPJRJDNSA-N	D-allose
metacyc.compound:CPD-15629 metacycM:CPD-15629 GZCGUPFRVQAUEE-BGPJRJDNSA-N	aldehydo-D-allose
chebi:37689 chebi:40819 biggM:M_all__D	secondary/obsolete/fantasy identifier