Standard Compound Records

Database Entry: cq_00987

2D-Structure

3D-Structure

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Basic Information

Name:L-Lyxose
Synonyms:L-Lyxose;1949-78-6;C01508;(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:1949-78-6
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+/m0/s1
Experimental Water Solubility:
Predicted Water Solubility:1220.30 mg/ml [Predicted by ALOGPS]
Experimental LogP(octanol-water):
Predicted LogP(octanol-water):-2.57 [Predicted by ALOGPS]

Biology and Chemistry related

KEGG Compound ID:C01508
PubChem SID:4676
PubChem CID:439508
ChemIDplus:
CHEBI:28480
HMDB:
PDB Component ID:
MetaCyc ID:|L-LYXOSE||CPD-227|
UM-BBD ID:
BMRB ID:

NMR related

MMCD Experimental_NMR: expnmr_00414 ||

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_A73.6
2C3191820,17,13,94475.7N_AN_A73.1
3C3181720,16,12,82270.4N_AN_A69.7
4O141320,477N_AN_AN_AN_A
5C3171619,15,11,75596.9N_AN_A97.4
6O131219,388N_AN_AN_AN_A
7C2161518,15,5,61166.1N_AN_A67.5
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:DONE
Organism:atc; atu; bld; bli; eco; map; nfa; rba; sco; sma; sme; spb; spz; eci; fth; gfo; ko; pen; reh; ret; rha; sph; spi; spj; spk; bbt; bra; ccv; dge; ftw; llm; nar; pap; rde; sen; ssa
Location:Fridge C UW Box 2 C2
Isomer:
Salt:
Data Source:kegg;biocyc
Similar Structure:|cq_00191||cq_00334||cq_01390||cq_00128||cq_00988||cq_05045||cq_14186||cq_00925||cq_01527||cq_00156||cq_01328||cq_01594||cq_01389|
Comments: