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

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cladinose

	Properties	Image
MNX_ID	MNXM1107527
reference	chebi:29612
formula	C₈H₁₆O₄
global charge	0
mol weight	176.212
InChIKey	AJSDVNKVGFVAQU-BIIVOSGPSA-N
InChI	InChI=1S/C8H16O4/c1-6(10)7(11)8(2,12-3)4-5-9/h5-7,10-11H,4H2,1-3H3/t6-,7-,8+/m0/s1
SMILES	CO[C@](C)(CC=O)[C@@H](O)[C@H](C)O

MNX internals

InChI (mnx)	InChI=1/C8H16O4/c1-6(10)7(11)8(2,12-3)4-5-9/h5-7,10-11H,4H2,1-3H3/t6-,7-,8+/m0/s1
SMILES (mnx)	[CH3:1][C@@H:6]([C@@H:7]([C@@:8]([CH3:2])([CH2:4][CH:5]=[O:9])[O:12][CH3:3])[OH:11])[OH:10]

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:29612 chebi:29612 AJSDVNKVGFVAQU-BIIVOSGPSA-N	cladinose 2,6-dideoxy-3-C-methyl-3-O-methyl-L-ribo-hexose Cladinose L-Cladinose
kegg.compound:C11917 keggC:C11917 AJSDVNKVGFVAQU-BIIVOSGPSA-N	L-Cladinose
envipath:...4dae6d2b9646 envipathM:...4dae6d2b9646 AJSDVNKVGFVAQU-BIIVOSGPSA-N	compound 0217447
keggC:M_C11917	secondary/obsolete/fantasy identifier