Standard Compound Records

Database Entry: cq_00410

2D-Structure

3D-Structure

(Powered by ChemAxon Marvin)

Basic Information

Name:D-Glyceraldehyde
Synonyms:D-Glyceraldehyde;453-17-8;D-(+)-Glyceraldehyde;EINECS 207-217-1;NSC 91534;Propanal, 2,3-dihydroxy-, (R)- (9CI);Propanal, 2,3-dihydroxy-, (r)-;Triose;(2S)-2,3-dihydroxypropanal;glyceraldehyde;alpha,beta-dihydroxypropionaldehyde
Molecular Weight:90.07794
Formula:C3H6O3
CAS:453-17-8;453-17-8 367-47-5;453-17-8;367-47-5
Isomeric SMILES:C([C@H](C=O)O)O
Canonical SMILES:C(C(C=O)O)O
InChI:InChI=1/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2/t3-/m0/s1
Experimental Water Solubility:
Predicted Water Solubility:1.95E+005 mg/L [MEYLAN,WM ET AL. (1996)]
Experimental LogP(octanol-water):
Predicted LogP(octanol-water):-1.07 [MEYLAN,WM & HOWARD,PH (1995)]

Biology and Chemistry related

KEGG Compound ID:C00577
PubChem SID:656029
PubChem CID:79014
ChemIDplus:000453178
CHEBI:17378
HMDB:
PDB Component ID:|3GR|
MetaCyc ID:|GLYCERALD||L-GLYCERALDEHYDE|
UM-BBD ID:
BMRB ID:|D_Glyceraldehyde|

NMR related

MMCD Experimental_NMR: expnmr_00300 ||

Atom IDAtom TypeSMILES Canonical IDSMILES Symmetry ClassNeighborsInChI Canonical IDInChI Symmetry ClassEmpirical Chemical ShiftTheoretical Chemical ShiftExperimental Chemical ShiftLiterature NMR Data
1C3121111,10,9,63392.1N_AN_AN_A
2C2111012,8,4,52259.2N_AN_AN_A
3C310912,7,311200.5N_AN_AN_A
4O9812,266N_AN_AN_AN_A
5O8711,155N_AN_AN_AN_A
6O761044N_AN_AN_AN_A
7H6512N_AN_A4.17N_AN_AN_A
8H4411N_AN_A3.885N_AN_AN_A
9H5411N_AN_A4.135N_AN_AN_A
10H3310N_AN_A9.72N_AN_AN_A
11H229N_AN_A4.14N_AN_AN_A
12H118N_AN_A4.78N_AN_AN_A

Mass Spectra related

C12N14 Mass data:90.0316940589
C13N14 Mass data:93.0417585723
C12N15 Mass data:90.0316940589
C13N15 Mass data:93.0417585723

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; cho; chy; cje; cjk; cjr; cme; cmu; cne; cpa; cpe; cpj; cpn; cps; cpt; cpv; cta; ctc; cte; ctr; cvi; daga; dame; dar; dbmo; dcbr; dcgr; dcin; dcnb; ddha; ddi; ddpo; 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; han; ehi; ehvu; elco; eles; elsa; emtr; eosa; epba; eppa; epta; erg; eru; erw; esbi; esof; estu; etae; evvi; ezma; fnu; ftu; gga; 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; hy; mle; mlo; mma; mmo; mmu; mmy; mpa; mpe; mpn; mpu; msu; msy; mtc; 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; poy; ppr; ppu; psb; psp; pst; pto; pub; rba; reu; rno; rpa; rso; rsp; sac; sag; sai; sak; sam; san; sar; as; 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; ssn; sso; ssp; stc; sth; stl; stm; sto; stt; sty; syc; syn; syw; tac; tbd; tbr; tcr; tde; tel; tfu; tko; tma; tpa; tpv; tte; tth; ttj; tvo; twh; tws; uur; vch; vfi; vpa; vvu; vvy; wbm; br; 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; ayw; azo; baf; bam; bbk; bcc; bch; bci; bcn; bfr; bmf; bpm; bpn; bta; bte; btl; bxe; cch; cfa; cff; chu; cno; cpf; cph; cpr; csa; cya; cyb; dde; dge; dvl; ech; eci; ecp; ecsv; ehan; 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; mhy; mkm; mmc; mmr; msm; mta; mtp; mva; mxa; nar; nca; net; nha; nmu; osa; pat; pca; pcr; pde; pen; pin; plt; pmi; pna; pol; ppd; ptr; rde; reh; ret; rfr; rha; rle; rma; rme; rpb; rpc; rpd; rpe; rru; rxy; saa; sab; sal; sao; sas; sat; saz; sbo; sde; sdn; sdy; sfr; sfu; sgl; she; shm; shw; sit; spd; sph; spi; spj; spk; sru; ssc; sus; swo; syd; sye; syf; syg; tcx; tdn; ter; tpe; wbr; xla; xtr; ypa; ypn; agro; anthra; asp62977; asp76114; avar240292; bant260779; bant261594; bbac264462; bbro518; bcer1396; bcer226900; bcer288681; bfra295405; bhal86665; bhen283166; bjap224911; blic279010; blon206672; bmal243160; bmel29459; bmel359391; bpar519; bper520; bpse28450; bsub1423; bsui204722; btha57975; bthe226186; cace1488; caulo; cdip1717; ceff196164; cglu196627-1; cglu196627; cjei306537; cpel335992; cper1502; cpne182082; ctep194439; ctet212717; cvio243365; ecar218491; ecol199310; ecol83334-1; ecoo157; efae226185; fnuc190304; gkau235909; hche349521; hinf71421; hmar272569; hpyl85963; hsp64091; human; linn1642; lint189518; ljoh257314; llac1360; lmon169963; lmon265669; lpla220668; lpne272624; lxyl281090; meta; mlot381; mmaz192952; msme246196; mxan246197; neur228410; nmen491; nmen65699; noce323261; nwin323098; oihe182710; paer287; parc259536; pflu205922; pfur186497; pgin242619; phal326442; pint246198; plum243265; pmar167539; pmar59919; pmar74547; ppro298386; psp117; psyr223283; ptor263820; reut264198; rpal258594; rrub269796; rsol305; rsph272943; saur282458; saur282459; saur93062; save227882; scoe1902; sent209261; sent295319; sent90370; sepi176279; sepi176280; sfle198214; smel382; sone211586; spne1313; spne170187; spom246200; ssol2287; ssp84588; sthe264199; sthe299768; styp99287; taci2303; tden243275; tmar2336; tten119072; tvol50339; vcho243277; vcho; vvul196600; vvul216895; xfas183190; ypes229193; ypse273123; zmob264203; acb; acr; afm; afw; amt; ang; ani; aor; apl; asu; bay; bbt; bcy; bml; bmn; bmv; bov; bpd; bpl; bra; bvi; cba; cbd; cbe; cbf; cbh; cbo; ccv; cdf; cfe; cha; cjd; cjj; ckl; cmi; csc; cth; dno; dpkn; drm; dsy; ecv; eli; ent; fjo; fno; fps; ftn; ftw; har; hiq; kra; lbj; lbu; lip; llm; lre; mae; mbb; mbn; mem; mgi; mjl; mmq; mms; mmw; mmz; mpt; mse; msi; mvn; nis; nmc; nse; oan; pap; pau; 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;pdb;biocyc
Similar Structure:|cq_01506||cq_01362|
Comments: