Standard Compound Records

Database Entry: cq_00070

2D-Structure

3D-Structure

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Basic Information

Name:D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate
Synonyms:D-Glucose 1-phosphate;alpha-D-Glucose 1-phosphate;Cori ester;D-Glucose alpha-1-phosphate;27133-73-9;28875-57-2;29698-82-6;3616-38-4;50319-10-3;56401-20-8;59-56-3;6736-77-2;68901-12-2;6997-09-7;7279-37-0;EINECS 200-435-8;Glucose 1-(dihydrogen phosphate);Glucose-1-phosphate;alpha-D-Glucopyranose, 1-(dihydrogen phosphate);[(2R,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxyphosphonic acid;[(2R,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphosphonic acid;[(2R,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphosphonic acid;HMDB01306;HMDB01586;
Molecular Weight:260.135781
Formula:C6H13O9P
CAS:27133-73-9;28875-57-2;29698-82-6;3616-38-4;50319-10-3;56401-20-8;59-56-3;6736-77-2;68901-12-2;6997-09-7;7279-37-0
Isomeric SMILES:C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O
Canonical SMILES:C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)O
InChI:InChI=1/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6-/m1/s1
Experimental Water Solubility:1000.0 mg/mL [MERCK INDEX (1996)]
Predicted Water Solubility:34.2 mg/mL [Predicted by ALOGPS]
Experimental LogP(octanol-water):
Predicted LogP(octanol-water):-2.00 [Predicted by ALOGPS]; -3.8 [Predicted by PubChem via XLOGP]; -3.79 [MEYLAN,WM & HOWARD,PH (1995)]

Biology and Chemistry related

KEGG Compound ID:C00103
PubChem SID:207540
PubChem CID:65533
ChemIDplus:000059563
CHEBI:16077
HMDB:|HMDB01306||HMDB01586|
PDB Component ID:|G1P|
MetaCyc ID:|GLC-1-P|
UM-BBD ID:
BMRB ID:|alpha_D_glucose_1_phosphate|

NMR related

MMCD Experimental_NMR: expnmr_00054 ||

HMDB_EXPERIMENTAL_CNMR: HMDB01586||

HMDB_EXPERIMENTAL_HSQC: HMDB01586||

Atom IDAtom TypeSMILES Canonical IDSMILES Symmetry ClassNeighborsInChI Canonical IDInChI Symmetry ClassEmpirical Chemical ShiftTheoretical Chemical ShiftExperimental Chemical ShiftLiterature NMR Data
1C3242121,25,22,96690.997.151N_AN_A
2O211824,281414N_AN_AN_AN_A
3C3252224,26,16,105573.474.437N_AN_A
4O221924,291515N_AN_AN_AN_A
5C3282521,27,23,132277.286.008N_AN_A
6C3262325,27,17,114472.977.654N_AN_A
7O161425,21010N_AN_AN_AN_A
8P292622,19,20,141616N_A4.772N_AN_A
9C3272428,26,18,123371.272.063N_AN_A
10C2232028,15,7,81161.961.291N_AN_A
11O171526,399N_AN_AN_AN_A
12O191729,51111N_AN_AN_AN_A
13O201729,61211N_AN_AN_AN_A
14O1412291311N_AN_AN_AN_A
15O181627,488N_AN_AN_AN_A
16O151323,177N_AN_AN_AN_A
17H9724N_AN_A5.416.283N_AN_A
18H10825N_AN_A3.494.411N_AN_A
19H131128N_AN_A3.765.032N_AN_A
20H11926N_AN_A3.495.068N_AN_A
21H121027N_AN_A3.44.460N_AN_A
22H7623N_AN_A3.5354.376N_AN_A
23H8623N_AN_A3.7855.892N_AN_A
24H2216N_AN_A4.813.222N_AN_A
25H3317N_AN_A4.810.506N_AN_A
26H5519N_AN_A2.03.651N_AN_A
27H6520N_AN_A2.07.700N_AN_A
28H4418N_AN_A4.810.492N_AN_A
29H1115N_AN_A4.780.921N_AN_A

Mass Spectra related

HMDB_MASS_SPEC: HMDB01586||

C12N14 Mass data:260.029718526
C13N14 Mass data:266.049847553
C12N15 Mass data:260.029718526
C13N15 Mass data:266.049847553

Miscellanea

Order_Status:DONE
Organism:aae; aci; afu; ago; ama; ana; ape; atc; ath; atu; ava; baa; ban; bar; 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; 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; det; dfru; dkla; dkwa; dme; dmgr; dncr; dps; dra; dre; dsba; dsmi; dspd; dtni; dvu; dyli; eath; eba; ebna; eca; ecc; ece; ecj; eco; ecs; ecsi; ecu; efa; egar; egma; egra; ehan; ehi; ehvu; elco; ele; elsa; emtr; eosa; epba; eppa; epta; 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; mge; mja; mka; mle; mlo; mma; mmo; mmp; mmu; mmy; mpa; mpe; mpn; msu; mt; mth; mtu; neu; nfa; ngo; nma; nme; noc; nph; nwi; oih; pab; pac; pae; pai; par; pcu; pfa; pfl; 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; sas; sau; sav; sce; sco; sec; sep; ser; sfl; sfx; sha; sil; sma; sm; 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; tte; tth; ttj; tvo; twh; tws; vch; vfi; vpa; vvu; vvy; wbr; wsu; xac; xcb; xcc; xcv; xfa; xft; xoo; ype; ypk; ypm; yps; zmo; aau; aav; aba; abo; ace; ade; aeh; aha; art; azo; baf; bbk; bfr; bmf; bpm; bpn; bta; bte; btl; bxe; cch; cff; chu; cno; cpf; cph; cpr; csa; cya; cyb; dde; deh; dge; dvl; eci; ecp; ecsv; eles; 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; mcp; mes; mfa; mgm; mhu; mkm; mmc; msm; mst; mta; mtc; mtp; mva; mxa; nar; nca; net; nha; nmu; osa; pat; pca; pde; pen; pfo; pin; plt; pmi; pna; pol; ppd; ptr; rde; reh; ret; rfr; rha; rle; rme; rpb; rpc; rpd; rpe; rru; rxy; saa; sab; sao; sat; saz; sbo; sde; sdn; sdy; sfr; sfu; sgl; she; shm; shw; sme; spd; sph; spi; spj; spk; sru; ssc; ssn; sus; syd; sye; syf; syg; tbr; tcx; tdn; ter; tpe; xla; xtr; 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; mgen2097; mhyo295358; mjan243232; mkan190192; mlep1769; mmyc44101; mpen28227; mtbcdc; mtbrv; mthe187420; ngon242231; nmen491; nmen65699; nmul323848; noce323261; npha348780; nsen222891; nwin323098; pacn267747; paer178306; parc259536; past100379; pcar338963; pmar74546; 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; ajs; amt; ani; aor; apl; asu; bam; bay; bbt; bch; bcn; bcy; bml; bmn; bmv; bov; bpd; bpl; bra; cba; cbd; cbe; cbf; cbh; cbo; ccv; cdf; cfa; cfe; cha; cjd; cjj; ckl; cmi; csc; cth; dno; dpkn; dpyo; drm; dsy; ecv; ent; fjo; fno; fps; ftn; ftw; gga; gur; har; hip; hiq; kra; lbu; lip; llm; lre; mae; mbb; mbn; mbu; mem; mgi; mjl; mmq; mmr; mms; mmw; mmz; mpt; msi; mvn; nis; nmc; oan; pap; pas; pau; pcl; pcr; pic; pla; pmb; pmc; pme; pmf; pmg; pmy; ppf; pvi; rci; rrs; rsh; rsq; sbl; sbm; sen; sfv; shn; sit; slo; smd; spc; spf; spu; ssa; sun; swi; syr; syx; tet; tme; tpt; vco; vei; vok; xau; xom; yen; ypi; ypp
Location:
Isomer:
Salt:
Data Source:kegg;tair;hmdb;pdb;biocyc
Similar Structure:|cq_00460||cq_00680||cq_00445||cq_00315||cq_02250||cq_00777||cq_02028||cq_00802||cq_19773||cq_19772|
Comments: