Standard Compound Records

Database Entry: cq_00085

2D-Structure

3D-Structure

(Powered by ChemAxon Marvin)

Basic Information

Name:D-Ribose
Synonyms:D-Ribose;4-01-00-04211 (Beilstein Handbook Reference);50-69-1;58-91-3;6915-40-8;AI3-52667;BRN 1723081;EINECS 200-059-4;RIBOSE;Ribo-2,3,4,5-tetrahydroxyvaleraldehyde, D-;Ribose, D-;(3R,4S,5S)-5-methyloltetrahydrofuran-2,3,4-triol;(3R,4S,5S)-5-(hydroxymethyl)oxolane-2,3,4-triol;(3R,4S,5S)-5-(hydroxymethyl)tetrahydrofuran-2,3,4-triol;HMDB00283;
Molecular Weight:150.1299
Formula:C5H10O5
CAS:50-69-1;58-91-3;6915-40-8
Isomeric SMILES:C([C@@H]1[C@H]([C@H](C(O1)O)O)O)O
Canonical SMILES:C(C1C(C(C(O1)O)O)O)O
InChI:InChI=1/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4-,5-/m1/s1
Experimental Water Solubility:
Predicted Water Solubility:1000.0 mg/mL [MEYLAN,WM et al. (1996)]; 1080 mg/mL [Predicted by ALOGPS]
Experimental LogP(octanol-water):-2.32 [HANSCH,C ET AL. (1995)]
Predicted LogP(octanol-water):-2.64 [Predicted by ALOGPS]; -1.9 [Predicted by PubChem via XLOGP]

Biology and Chemistry related

KEGG Compound ID:C00121
PubChem SID:148567
PubChem CID:5779
ChemIDplus:000050691
CHEBI:16988
HMDB:|HMDB00283|
PDB Component ID:|RIB||BDR|
MetaCyc ID:|CPD-6001||RIBOSE|
UM-BBD ID:
BMRB ID:

NMR related

MMCD Experimental_NMR: expnmr_00016 ||

HMDB_EXPERIMENTAL_HNMR: HMDB00283||

HMDB_EXPERIMENTAL_HSQC: HMDB00283||

HMDB_PREDICTED_HNMR: HMDB00283 ||

HMDB_PREDICTED_CNMR: HMDB00283 ||

Atom IDAtom TypeSMILES Canonical IDSMILES Symmetry ClassNeighborsInChI Canonical IDInChI Symmetry ClassEmpirical Chemical ShiftTheoretical Chemical ShiftExperimental Chemical ShiftLiterature NMR Data
1C3191820,15,16,92282.690.410N_A85.77
2C3201919,18,14,103374.076.320N_A72.83
3O151419,171010N_AN_AN_AN_A
4C2161519,11,5,61161.970.958N_A64.20
5C3181720,17,13,84479.981.703N_A73.71
6O141320,477N_AN_AN_AN_A
7C3171615,18,12,755100.5110.352N_A99.01
8O111016,166N_AN_AN_AN_A
9O131218,388N_AN_AN_AN_A
10O121117,299N_AN_AN_AN_A
11H9819N_AN_A3.915.477N_AN_A
12H10920N_AN_A3.654.624N_AN_A
13H5516N_AN_A3.5354.849N_AN_A
14H6516N_AN_A3.7854.721N_AN_A
15H8718N_AN_A3.744.396N_AN_A
16H7617N_AN_A5.566.233N_AN_A
17H4414N_AN_A4.812.650N_AN_A
18H1111N_AN_A4.780.067N_AN_A
19H3313N_AN_A4.811.349N_AN_A
20H2212N_AN_A2.01.980N_AN_A

Mass Spectra related

HMDB_MASS_SPEC: HMDB00283||

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:aae; aci; afu; ago; ama; ana; ape; atc; ath; atu; ava; baa; bab; ban; bar; bas; bat; bba; bbr; bbu; bca; bce; bcl; bcz; bfl; bfr; bfs; bga; bha; bhe; bja; bld; bli; blo; bma; bmb; bme; bms; bpa; bpe; bps; bqu; bsu; bth; btk; buc; bur; cab; cac; cal; cbu; cca; ccr; cdi; cef; cel; cgb; cgl; cje; cjk; cjr; cme; cmu; cne; cpa; cpe; cpj; cpn; cps; cpt; ctc; cte; ctr; cvi; daga; dame; dar; dbmo; dcbr; dcgr; dcin; dcnb; ddha; ddi; ddpo; det; dfru; dkla; dkwa; dme; dmgr; dncr; dps; dpyo; dra; dsba; dsmi; dspd; dtni; dvu; dyli; eath; eba; eca; ecc; ece; ecj; ecn; eco; ecs; ecsi; efa; egma; egra; ehi; ehvu; elco; eles; emtr; eosa; ep; a; eppa; epta; erg; eru; erw; esbi; esof; estu; etae; evvi; ezma; fnu; ftu; gka; gox; gsu; gvi; hal; hdu; hhe; hin; hit; hma; hpj; hpy; hsa; ilo; lac; lic; lil; lin; ljo; lla; lmf; lmo; lpf; lpl; lpn; lpp; lxx; mac; map; mba; mbo; mca; mfl; mga; mge; mhj; mhp; mhy; mja; mka; mle; mlo; mma; mmo; mmp; mmu; mmy; mpa; m; e; mpn; mpu; msu; msy; mtc; mth; mtu; neq; neu; nfa; ngo; nma; nme; nph; oih; pab; pac; pae; pai; par; pcu; pfl; pfu; pgi; pho; plu; pma; pmm; pmn; pmt; pmu; poy; ppr; ppu; psb; psp; pst; pto; pub; rba; rco; reu; rfe; rno; rpa; rpr; rso; rsp; rty; sac; sag; sai; sak; sam; san; sar; sas; sau; sav; sce; sco; sec; sep; s; r; sfl; sfx; sha; sil; sma; sme; smu; son; spa; spg; spm; spn; spo; spr; sps; spt; spy; sso; ssp; stc; sth; stl; stm; sto; stt; sty; syc; syn; syw; tac; tde; tel; tfu; tko; tma; tpa; tte; tth; ttj; tvo; twh; tws; uur; vch; vfi; vpa; vvu; vvy; wbm; wbr; wol; wsu; xac; xcb; xcc; xcv; xfa; xft; xoo; ype; ypk; ypm; yps; z; o; aau; abo; aeh; aha; ayw; baf; bam; bcn; bmf; bpm; bpn; bta; bte; btl; bxe; cch; cfa; chu; chy; cno; cpf; cpr; cta; cya; cyb; dde; deh; dre; dsy; eci; ecp; ecsv; emte; epba; esja; espu; fal; fra; ftf; ftl; gbe; gga; gme; hch; hne; hpa; hso; hwa; jan; ko; ldb; lma; lsa; lsl; mag; mcp; mes; mpe; msm; mst; mta; mva; net; nmu; noc; nwi; osa; pat; pca; pde; pen; pfo; pha; plt; pmi; pol; ptr; rbe; rde; reh; ret; rfr; rha; rle; rme; rpb; rpc; rru; saa; sab; sao; sat; sbo; sde; sdy; ser; sgl; she; shm; spb; spd; spz; sru; ssn; syd; sye; syf; tbd; tbr; tcr; tcx; tdn; ter; xla; xtr; ypa; ypn; zmo; afer243159; aful2234; amar234826; anae240017; asp62977; avar240292; babo262698; baph224915; bflo203907; bhen283166; bmel359391; bqui283165; bsp107806; bsui204722; caulo; cbur227377; cglu196627-1; cjei306537; cjej192222; cjej195099; deth61435; erum254945; erum302405; frant; goxy290633; hhep235279; hinf281310; hpyl85963; hsp64091; human; iloi283942; laci272621; lint189518; ljoh257314; mbar269797; mgen2097; mhyo295358; mjan243232; mlep1769; mmyc44101; mtbcdc; mtbrv; mthe187420; ngon242231; nmen491; nmen65699; pacn267747; parc259536; pfa; rcon781; reut264198; rsph272943; rtyp257363; saur158879; saur282458; saur282459; saur93062; sboy300268; sdys300267; sepi176279; spom246200; sthe292459; tcru317025; twhi203267; uure2130; vcho243277; vcho; vfis312309; vpar223926; wpip955; wsp80849; wsuc844; xaxo190486; xcam314565; xfas183190; aav; aba; ace; ade; afm; ajs; ani; aor; aph; apl; art; asa; azo; bad; bay; bbk; bbt; bch; bci; bml; bmn; bmv; bpd; bpl; bra; cba; cbf; cbh; cdf; cfe; cff; cjj; cmi; cph; csa; cth; dge; dvl; ech; ecv; eli; fth; ftn; gfo; hac; har; hha; hip; hiq; kpn; lbj; lbl; lbr; lbu; lca; lga; lip; llc; llm; lme; lre; lwe; maq; mav; mbb; mbu; mem; mfa; mgi; mgm; mhu; mkm; mmc; mmq; mmr; mpt; msi; mtp; mul; mxa; nar; nha; nmc; nse; ooe; pap; pau; pcr; pic; pin; pmb; pmc; pme; pmf; pmg; pna; pnu; ppd; ppe; rci; rma; rpd; rpe; rsh; rxy; sae; sal; saz; sbl; sdn; sen; sfr; sfu; sfv; shn; shw; sit; slo; sph; spi; spj; spk; spu; ssa; ste; stp; sus; swo; syg; syr; syx; tet; vco; vei; xom; yen; ypi; ypp
Location:
Isomer:
Salt:
Data Source:kegg;tair;hmdb;pdb;biocyc
Similar Structure:|cq_16099||cq_18769||cq_03446|
Comments: