Standard Compound Records

Database Entry: cq_00334

2D-Structure

3D-Structure

(Powered by ChemAxon Marvin)

Basic Information

Name:D-Lyxose
Synonyms:D-Lyxose;1114-34-7;C00476;(3R,4R,5R)-tetrahydropyran-2,3,4,5-tetrol;(3R,4R,5R)-oxane-2,3,4,5-tetrol
Molecular Weight:150.1299
Formula:C5H10O5
CAS:1114-34-7
Isomeric SMILES:C1[C@H]([C@@H]([C@@H](C(O1)O)O)O)O
Canonical SMILES:C1C(C(C(C(O1)O)O)O)O
InChI:InChI=1/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4+,5-/m1/s1
Experimental Water Solubility:
Predicted Water Solubility:1E+006 mg/L [MEYLAN,WM ET AL. (1996)]
Experimental LogP(octanol-water):
Predicted LogP(octanol-water):-1.98 [MEYLAN,WM & HOWARD,PH (1995)]

Biology and Chemistry related

KEGG Compound ID:C00476
PubChem SID:3759
PubChem CID:439240
ChemIDplus:
CHEBI:16789
HMDB:
PDB Component ID:
MetaCyc ID:|L-LYXOSE||CPD-227|
UM-BBD ID:
BMRB ID:

NMR related

Atom IDAtom TypeSMILES Canonical IDSMILES Symmetry ClassNeighborsInChI Canonical IDInChI Symmetry ClassEmpirical Chemical ShiftTheoretical Chemical ShiftExperimental Chemical ShiftLiterature NMR Data
1C3201919,18,14,103375.3N_AN_A75.9
2C3191820,17,13,94475.7N_AN_A74.1
3C3181720,16,12,82270.4N_AN_A69.3
4O141320,477N_AN_AN_AN_A
5C3171619,15,11,75596.9N_AN_A96.7
6O131219,388N_AN_AN_AN_A
7C2161518,15,5,61166.1N_AN_A65.2
8O121118,266N_AN_AN_AN_A
9O151417,161010N_AN_AN_AN_A
10O111017,199N_AN_AN_AN_A
11H10920N_AN_A3.49N_AN_AN_A
12H9819N_AN_A3.49N_AN_AN_A
13H8718N_AN_A3.41N_AN_AN_A
14H7617N_AN_A5.41N_AN_AN_A
15H5516N_AN_A3.625N_AN_AN_A
16H6516N_AN_A3.875N_AN_AN_A
17H4414N_AN_A4.81N_AN_AN_A
18H3313N_AN_A4.81N_AN_AN_A
19H2212N_AN_A4.81N_AN_AN_A
20H1111N_AN_A2.0N_AN_AN_A

Mass Spectra related

C12N14 Mass data:150.052823432
C13N14 Mass data:155.069597621
C12N15 Mass data:150.052823432
C13N15 Mass data:155.069597621

Miscellanea

Order_Status:Not ordered
Organism:map; ko
Location:
Isomer:
Salt:
Data Source:kegg;biocyc
Similar Structure:|cq_00191||cq_01390||cq_00128||cq_00987||cq_00988||cq_05045||cq_14186||cq_00925||cq_01527||cq_00156||cq_01328||cq_01594||cq_01389|
Comments: