Standard Compound Records

Database Entry: cq_00143

2D-Structure

3D-Structure

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Basic Information

Name:D-Ribulose 5-phosphate
Synonyms:D-Ribulose 5-phosphate;4300-28-1;D-Ribose 5-(dihydrogen phosphate);D-Ribose 5-phosphate;D-Ribose-5-phosphoric acid;EINECS 224-310-2;R-5-P;Ribose 5-monophosphate;Ribose 5-phosphate;Ribose phosphate;Ribose, 5-(dihydrogen phosphate), D-;[(2R,3S,4S)-2,3,4-trihydroxy-5-oxo-pentoxy]phosphonic acid;D-Ribose 5-phosphic acid;D-ribose-5-P;D-ribose-5-phosphate;D-ribose-5-phosphorate;Ribose-5-phosphate;ribose-5-P;ribose-5-phosphorate;ribose-5-phosphoric acid;ribose-5P;(2,3,4-trihydroxy-5-oxo-pentoxy)phosphonic acid
Molecular Weight:230.109801
Formula:C5H11O8P
CAS:4300-28-1;4151-19-3;3615-55-2
Isomeric SMILES:C([C@H]([C@H]([C@H](C=O)O)O)O)OP(=O)(O)O
Canonical SMILES:C(C(C(C(C=O)O)O)O)OP(=O)(O)O
InChI:InChI=1/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h1,3-5,7-9H,2H2,(H2,10,11,12)/t3-,4+,5-/m0/s1
Experimental Water Solubility:
Predicted Water Solubility:19.5 mg/mL [Predicted by ALOGPS]
Experimental LogP(octanol-water):
Predicted LogP(octanol-water):-1.64 [Predicted by ALOGPS]; -3.9 [Predicted by PubChem via XLOGP]; -2.65 [MEYLAN,WM & HOWARD,PH (1995)]

Biology and Chemistry related

KEGG Compound ID:C00199
PubChem SID:655036
PubChem CID:77982
ChemIDplus:004300281
CHEBI:17363
HMDB:|HMDB01548|
PDB Component ID:
MetaCyc ID:|RIBOSE-5P|
UM-BBD ID:
BMRB ID:|D_Ribulose_5_phosphate|

NMR related

MMCD Experimental_NMR: expnmr_00280 ||

HMDB_EXPERIMENTAL_HSQC: HMDB01548||

Atom IDAtom TypeSMILES Canonical IDSMILES Symmetry ClassNeighborsInChI Canonical IDInChI Symmetry ClassEmpirical Chemical ShiftTheoretical Chemical ShiftExperimental Chemical ShiftLiterature NMR Data
1C3201712,22,611200.5N_AN_AN_A
2O12102066N_AN_AN_AN_A
3C3221920,14,24,93388.0N_AN_AN_A
4O141222,177N_AN_AN_AN_A
5C3242122,16,23,115569.9N_AN_AN_A
6O161424,399N_AN_AN_AN_A
7C3232024,15,21,104469.3N_AN_AN_A
8O151323,288N_AN_AN_AN_A
9C2211823,19,7,82264.8N_AN_AN_A
10O191621,251313N_AN_AN_AN_A
11P252219,13,17,181414N_AN_AN_AN_A
12O1311251010N_AN_AN_AN_A
13O171525,41110N_AN_AN_AN_A
14O181525,51210N_AN_AN_AN_A
15H9722N_AN_A4.16N_AN_AN_A
16H11924N_AN_A3.6N_AN_AN_A
17H10823N_AN_A3.38N_AN_AN_A
18H7621N_AN_A4.055N_AN_AN_A
19H8621N_AN_A4.305N_AN_AN_A
20H6520N_AN_A9.72N_AN_AN_A
21H1114N_AN_A4.14N_AN_AN_A
22H3316N_AN_A4.81N_AN_AN_A
23H2215N_AN_A4.81N_AN_AN_A
24H4417N_AN_A2.0N_AN_AN_A
25H5418N_AN_A2.0N_AN_AN_A

Mass Spectra related

HMDB_MASS_SPEC: HMDB01548||

C12N14 Mass data:230.01915384
C13N14 Mass data:235.035928029
C12N15 Mass data:230.01915384
C13N15 Mass data:235.035928029

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; 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; chy; cje; cjk; cjr; cme; cmu; cne; cpa; cpe; cpj; cpn; cps; cpt; cta; 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; dre; dsba; dsmi; dspd; dtan; dtni; dvu; dyli; eath; eba; ebna; eca; ecc; ece; ecj; ecn; eco; ecs; ecsi; ecu; efa; egar; egma; egra; ehan; ehi; ehvu; elco; eles; elsa; emtr; eosa; epba; 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; ka; mle; mlo; mma; mmo; mmp; mmu; mmy; mpa; mpe; mpn; mpu; msu; msy; mtc; mth; mtu; neu; nfa; ngo; nma; nme; noc; nph; nwi; oih; pab; pac; pae; pai; par; pcu; pfa; pfl; pfo; pfu; pgi; pha; pho; plu; pma; pmm; pmn; pmt; pmu; ppr; ppu; psb; psp; pst; pto; pub; rba; rco; reu; rfe; rpa; rpr; rso; rsp; rty; sac; sag; sai; ak; sam; san; sar; sas; sau; sav; sce; sco; sec; sep; ser; sfl; sfx; sha; sil; sma; sme; smu; son; spa; spb; spg; spm; spn; spo; spr; sps; spt; spy; spz; sso; ssp; stc; sth; stl; stm; sto; stt; sty; syc; syn; syw; tac; tbd; tcr; tde; tel; tfu; tko; tma; tpa; tpv; tte; tth; ttj; tvo; twh; tws; uur; vch; vfi; vpa; vvu; vy; wbm; wbr; wol; wsu; xac; xcb; xcc; xcv; xfa; xft; xoo; ype; ypk; ypm; yps; zmo; aau; aav; aba; abo; ace; ade; aeh; aha; ajs; aph; art; azo; baf; bam; bbk; bcc; bch; bci; bcn; bfr; bmf; bpm; bpn; bte; btl; bxe; cch; cff; chu; cno; cpf; cph; cpr; crp; csa; cya; cyb; dde; deh; dge; dvl; ech; eci; ecp; emte; esja; espu; fal; fra; ftf; fth; ftl; gbe; gfo; gme; hac; hch; hha; hne; hpa; hso; hwa; jan; ko; ldb; lma; lsa; lsl; lwe; mag; maq; mav; mbu; mcp; mes; mfa; mgm; mhu; mka; mkm; mmc; mmr; msm; mst; mta; mtp; mva; mxa; nar; nca; net; nha; nmu; nse; osa; pat; pca; pcr; pde; pen; pin; pis; plt; pmi; pna; pol; ppd; rbe; rde; reh; ret; rfr; rha; rle; rma; rme; rpb; rpc; rpd; rpe; rru; rxy; saa; sab; sak; sal; sao; sat; saz; sbo; sde; sdn; sdy; sfr; sfu; sgl; she; shm; shw; sit; spd; sph; spi; spj; spk; sru; ssn; sus; swo; syd; sye; syf; syg; tbr; tcx; tdn; ter; tpe; vvy; xla; ypa; ypn; afer243159; aful2234; amar234826; anae240017; apha212042; asp62977; avar240292; babo262698; bant191218; baph198804; baph224915; bflo203907; bhen283166; bmel359391; bqui283165; bsp107806; bsui204722; caulo; cblo203907; cblo291272; cbur227377; cglu196627-1; cjei306537; cjej192222; cjej195099; cpel335992; daro159087; ddes207559; deth61435; dpsy177439; ecan269484; echa205920; erum254945; erum302405; frant; gmet269799; goxy290633; hduc233412; hhep235279; hinf281310; hpyl85963; hsp64091; human; iloi283942; laci272621; lint189518; ljoh257314; lpne297245; lpne297246; mbar269797; mgal233150; mgen2097; mhyo295358; mjan243232; mkan190192; mlep1769; mmyc44101; mpen28227; mtbcdc; mtbrv; mthe187420; nequ228908; ngon242231; nmen491; nmen65699; nmul323848; noce323261; npha348780; nsen222891; nwin323098; pacn267747; paer178306; parc259536; past100379; pcar338963; pmar74546; pmul747; rcon781; reut264198; rfel315456; rpro782; rsph272943; rtyp257363; saga211110; saur158879; saur282458; saur282459; saur93062; sboy300268; sdys300267; selo1140; sepi176279; spom246200; ssp1131-1; ssp1131; sthe292459; tcru317025; tden292415; tkod69014; twhi203267; uure2130; vcho243277; vcho; vfis312309; vpar223926; wpip955; wsp80849; wsuc844; xaxo190486; xcam314565; xfas183190; acr; afm; afw; amt; ani; aor; apl; asu; bay; bbt; bcy; bml; bmn; bmv; bov; bpd; bpl; bra; bvi; cba; cbd; cbe; cbf; cbh; cbo; ccv; cdf; cfa; cfe; cha; cjd; cjj; ckl; cmi; csc; cth; deb; dno; dpkn; drm; dsy; ecv; eli; ent; fjo; fno; fps; ftn; ftw; gga; gur; har; hip; hiq; kra; lbu; lip; llm; lre; mae; mbb; mbn; mem; mgi; mjl; mmq; mms; mmw; mmz; mpt; mse; msi; mvn; nis; nmc; oan; ots; pap; pas; pau; pcl; pic; pla; pmb; pmc; pme; pmf; pmg; pmy; pnu; ppf; prw; pvi; rci; rrs; rsh; rsq; sah; saj; sbl; sbm; sen; sfv; shn; slo; smd; smr; spc; spf; spu; ssa; stp; sun; swi; syr; syx; tan; tet; tme; tpt; vco; vei; vok; xau; xom; ypi; ypp
Location:
Isomer:
Salt:
Data Source:kegg;tair;hmdb;biocyc
Similar Structure:|cq_03951||cq_00759|
Comments: