Standard Compound Records

Database Entry: cq_00253

2D-Structure

3D-Structure

(Powered by ChemAxon Marvin)

Basic Information

Name:D-Glucosamine 6-phosphate;D-Glucosamine phosphate
Synonyms:D-Glucosamine 6-phosphate;D-Glucosamine phosphate;3616-42-0;C00352;[(2S,3R,4R,5R,6S)-5-amino-3,4,6-trihydroxy-tetrahydropyran-2-yl]methoxyphosphonic acid;[(2S,3R,4R,5R,6S)-5-amino-3,4,6-trihydroxy-oxan-2-yl]methoxyphosphonic acid;HMDB01254;;Glucosamine 6-phosphate;2-Amino-2-deoxy-D-glucose 6-phosphate;2-Amino-2-deoxyglucose 6-phosphate;2-Amino-D-glucose-6-phosphate;D-Glucosamine-6-phosphate;Glucosamine 6 -phosphate;Glucosamine 6-phosphic acid;Glucose-6-phosphorate;Glucose-6-phosphoric acid;Phosphoric acid mono-((2R,3S,4R,5R)-5-amino-2,3,4-trihydroxy-6-oxo-hexyl) ester;Robison ester;glucosamine-6-P;glucosamine-6-phosphate;(5-amino-2,3,4-trihydroxy-6-oxo-hexoxy)phosphonic acid
Molecular Weight:259.151021
Formula:C6H14NO8P
CAS:3616-42-0
Isomeric SMILES:C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)OP(=O)(O)O
Canonical SMILES:C(C1C(C(C(C(O1)O)N)O)O)OP(=O)(O)O
InChI:InChI=1/C6H14NO8P/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4-,5-,6+/m1/s1
Experimental Water Solubility:
Predicted Water Solubility:36.6 mg/mL [Predicted by ALOGPS]
Experimental LogP(octanol-water):
Predicted LogP(octanol-water):-2.60 [Predicted by ALOGPS]; -3.9 [Predicted by PubChem via XLOGP]

Biology and Chemistry related

KEGG Compound ID:C00352
PubChem SID:3645
PubChem CID:439217
ChemIDplus:
CHEBI:15873
HMDB:|HMDB01254|
PDB Component ID:|GLP|
MetaCyc ID:|D-GLUCOSAMINE-6-P|
UM-BBD ID:
BMRB ID:|D_glucosamine_6_phosphate|

NMR related

MMCD Experimental_NMR: expnmr_00189 ||

HMDB_EXPERIMENTAL_HSQC: HMDB01254||

Atom IDAtom TypeSMILES Canonical IDSMILES Symmetry ClassNeighborsInChI Canonical IDInChI Symmetry ClassEmpirical Chemical ShiftTheoretical Chemical ShiftExperimental Chemical ShiftLiterature NMR Data
1P302622,19,20,151616N_AN_AN_AN_A
2O221830,241414N_AN_AN_AN_A
3O191630,41111N_AN_AN_AN_A
4O201630,51211N_AN_AN_AN_A
5O1512301311N_AN_AN_AN_A
6C2242022,28,8,91162.9N_AN_AN_A
7C3282424,26,21,132274.5N_AN_AN_A
8C3262228,27,17,114472.4N_AN_AN_A
9O211728,251515N_AN_AN_AN_A
10C3272326,29,18,125573.4N_AN_AN_A
11O171426,288N_AN_AN_AN_A
12C3252121,29,16,106694.2N_AN_AN_A
13C3292527,25,23,143357.4N_AN_AN_A
14O181527,399N_AN_AN_AN_A
15O161325,11010N_AN_AN_AN_A
16N231929,6,777N_AN_AN_AN_A
17H8624N_AN_A4.035N_AN_AN_A
18H9624N_AN_A4.285N_AN_AN_A
19H131028N_AN_A3.76N_AN_AN_A
20H11826N_AN_A3.4N_AN_AN_A
21H12927N_AN_A3.64N_AN_AN_A
22H10725N_AN_A5.56N_AN_AN_A
23H141129N_AN_A2.89N_AN_AN_A
24H4419N_AN_A2.0N_AN_AN_A
25H5420N_AN_A2.0N_AN_AN_A
26H2217N_AN_A4.81N_AN_AN_A
27H3318N_AN_A4.81N_AN_AN_A
28H1116N_AN_A2.0N_AN_AN_A
29H6523N_AN_A2.0N_AN_AN_A
30H7523N_AN_A2.0N_AN_AN_A

Mass Spectra related

HMDB_MASS_SPEC: HMDB01254||

C12N14 Mass data:259.045702941
C13N14 Mass data:265.065831968
C12N15 Mass data:260.042737835
C13N15 Mass data:266.062866861

Miscellanea

Order_Status:DONE
Organism:aae; aci; 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; deh; det; dfru; dkla; dkwa; dme; dmgr; dncr; dps; dpyo; dra; dsba; dsmi; dspd; dtan; dtni; dvu; dyli; eath; eba; ebna; eca; ecc; ece; ecj; eco; ecs; ecu; efa; egar; egma; egra; ehan; ehi; hvu; elco; eles; 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; mhj; mhp; mhy; mja; mka; mle; mlo; mma; mmp; mmu; mmy; m; a; mpe; mpu; msu; msy; mtc; 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; 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; s; x; 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; tbr; tcr; tde; tel; tfu; tko; tma; tpa; tpv; tte; tth; ttj; twh; tws; vch; vfi; vpa; vvu; vvy; wbm; wbr; wol; wsu; xac; xcb; xcc; xcv; xfa; xft; xoo; ype; ypk; ypm; yps; z; o; aau; aba; abo; ace; aeh; aha; art; azo; baf; bam; bbk; bch; bci; bcn; bfr; bmf; bpm; bpn; bta; bte; btl; bxe; cch; cfa; cff; chu; cno; cpf; cpr; cya; cyb; dde; dge; dre; eci; ecp; ecsv; ehvu; emte; esja; espu; fal; fra; ftf; fth; ftl; gbe; gfo; gme; hac; hch; hne; hpa; hso; hwa; jan; ko; ldb; lma; lsa; lsl; lwe; mag; mav; mbu; mcp; mes; mfl; mga; mge; mmo; mpa; mpn; msm; mst; mta; mxa; nar; nca; net; nmu; osa; pat; pca; pde; pen; pfo; pin; plt; pmi; pol; ptr; rde; reh; ret; rfr; rha; rle; rme; rpb; rpc; rpd; rru; rxy; saa; sab; sao; sat; saz; sbo; sde; sdn; sdy; sfu; sfx; sgl; she; shm; shw; sit; spd; sph; spi; spj; spk; sru; ssn; sus; swo; syd; sye; syf; syg; tbd; tcx; tdn; ter; tpe; xla; xtr; ypa; ypn; zmo; aaeo63363; afer243159; aful2234; amar234826; anae240017; aper56636; asp62977; asp76114; avar240292; bant191218; baph198804; baph224915; bbac264462; bbro518; bbur139; bcer226900; bflo203907; bfra295405; bgar290434; bhal86665; bhen283166; bjap224911; blic279010; blon206672; bmal243160; bmel29459; bmel359391; bpar519; bper520; bpse28450; bqui283165; bsp107806; bsub1423; bsui204722; btha57975; bthe226186; cace1488; caulo; cblo203907; cblo291272; cbur227377; ccav227941; cdip1717; ceff196164; cglu196627-1; cglu196627; cjei306537; cjej192222; cjej195099; cmur83560; cpel335992; cper1502; cpne115711; cpne115713; cpne138677; cpne182082; ctep194439; ctet212717; cvio243365; daro159087; ddes207559; deth61435; dpsy177439; dvul882; ecol83334-1; efae226185; erum254945; erum302405; fnuc190304; frant; gkau235909; gmet269799; goxy290633; gsul35554; gvio251221; hduc233412; hhep235279; hinf281310; hinf71421; hmar272569; hpyl85963; hsp64091; human; iloi283942; laci272621; linn1642; lint189518; ljoh257314; llac1360; lmon169963; lmon265669; lpla220668; lpne272624; lpne297245; lpne297246; lxyl281090; mace188937; mbar269797; mcap243233; mgal233150; mgen2097; mhyo295358; mjan243232; mkan190192; mlep1769; mlot381; mmar267377; mmaz192952; mmob267748; mmyc44101; mpen28227; mpul2107; msme246196; mtbcdc; mtbrv; mthe187420; mxan246197; nequ228908; neur228410; nfar247156; ngon242231; nmen491; nmen65699; nmul323848; noce323261; npha348780; nsp103690; nwin323098; oihe182710; pacn267747; paer178306; paer287; parc259536; past100379; pcar338963; pfur186497; pgin242619; phor53953; pint246198; plum243265; pmar167539; pmar59919; pmar74546; pmar74547; pmul747; ppro298386; psp117; psp264201; psyr223283; ptor263820; rcon781; reut264198; rfel315456; rpal258594; rpro782; rsol305; rsph272943; rtyp257363; saga211110; saur158878; saur158879; saur196620; saur282458; saur282459; saur93062; save227882; sboy300268; scoe1902; sdys300267; selo1140; selo269084; sent209261; sent295319; sent90370; sepi176279; sepi176280; sfle198214; smel382; sone211586; spne1313; spne170187; spom246200; spyo160490; spyo186103; spyo295319; ssol2287; ssp1131-1; ssp1131; ssp1148; ssp84588; sthe264199; sthe292459; sthe299768; stok111955; taci2303; tcru317025; tden243275; tden292415; telo197221; tkod69014; tmar2336; tten119072; tthe300852; tvol50339; twhi203267; uure2130; vcho243277; vcho; vfis312309; vpar223926; vvul216895; wpip955; wsp80849; wsuc844; xaxo190486; xcam314565; xfas183190; ypes187410; ypes632; ypse273123; zmob264203; aav; acr; ade; afm; afw; ajs; 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; csa; csc; cth; dno; dpkn; drm; dsy; ecv; eli; ent; fjo; fno; fps; ftn; ftw; gga; har; hha; hip; hiq; kra; lbj; lbr; lbu; lca; lga; lip; llc; llm; lme; lre; mae; maq; mbb; mfa; mhu; mmc; mmr; mms; mmw; mmz; mpt; msi; mvn; nha; nis; nmc; oan; pap; pau; pcr; pic; pmb; pmc; pme; pmf; pmg; pna; pnu; ppe; ppf; rci; rma; rpe; rrs; rsh; rsq; sah; saj; sal; sbl; sbm; sen; sfr; sfv; shn; slo; smd; smr; spc; spf; spu; ssa; stp; sun; syr; syx; tan; tet; tme; tpt; vco; vei; vok; xau; xom; yen; ypi; ypp
Location:
Isomer:
Salt:
Data Source:kegg;tair;hmdb;pdb;biocyc
Similar Structure:|cq_03592|
Comments: