Standard Compound Records

Database Entry: cq_00277

2D-Structure

3D-Structure

(Powered by ChemAxon Marvin)

Basic Information

Name:Guanosine
Synonyms:Guanosine;118-00-3;2(3H)-Imino-9-beta-D-ribofuranosyl-9H-purin-6(1H)-one;2-Amino-1,9-dihydro-9-beta-D-ribofuranosyl-6H-purin-6-one;484-80-0;6H-Purin-6-one, 2-amino-1,9-dihydro-9-beta-D-ribofuranosyl-;85-30-3;9-beta-D-Ribofuranosylguanine;AI3-52065;EINECS 204-227-8;GR;GUANINE-9:BETA-D-RIBOFURANOSIDE;GUANOSINE;Guanine riboside;Guanine, 9-beta-D-ribofuranosyl-;Guanine, 9-beta-D-ribofuranosyl- (VAN);Guanozin;Guo;Inosine, 2-amino-;Inosine, 2-amino- (VAN);NSC 19994;Ribofuranoside, guanine-9, beta-D-;USAF CB-11;Vernine;Vernine (VAN);beta-D-Ribofuranoside, guanine-9;2-amino-9-[(2R,3R,4S,5S)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-3H-purin-6-one;2-amino-9-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one;2-amino-9-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one;HMDB00133;;2-Amino-1,9-dihydro-9-b-D-ribofuranosyl-6H-purin-6-one;2-amino-Inosine;9-b-D-ribofuranosyl-Guanine;Guanine ribonucleoside;b-D-Ribofuranoside guanine-9
Molecular Weight:283.24072
Formula:C10H13N5O5
CAS:118-00-3;484-80-0;85-30-3
Isomeric SMILES:C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NC(=NC2=O)N
Canonical SMILES:C1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=NC2=O)N
InChI:InChI=1/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-,9-/m1/s1
Experimental Water Solubility:0.7 mg/mL at 18 oC [YALKOWSKY,SH & DANNENFELSER,RM (1992)]
Predicted Water Solubility:16 mg/mL [Predicted by ALOGPS]
Experimental LogP(octanol-water):-1.90 [SANGSTER (1993)]
Predicted LogP(octanol-water):-1.60 [Predicted by ALOGPS]; -1.9 [Predicted by PubChem via XLOGP]

Biology and Chemistry related

KEGG Compound ID:C00387
PubChem SID:151492
PubChem CID:6802
ChemIDplus:000118003
CHEBI:16750
HMDB:|HMDB00133|
PDB Component ID:|GMP|
MetaCyc ID:|GUANOSINE|
UM-BBD ID:
BMRB ID:|guanosine|

NMR related

MMCD Experimental_NMR: expnmr_00059 ||

HMDB_EXPERIMENTAL_HNMR: HMDB00133||

HMDB_EXPERIMENTAL_CNMR: HMDB00133||

HMDB_EXPERIMENTAL_HSQC: HMDB00133||

HMDB_PREDICTED_HNMR: HMDB00133 ||

HMDB_PREDICTED_CNMR: HMDB00133 ||

Atom IDAtom TypeSMILES Canonical IDSMILES Symmetry ClassNeighborsInChI Canonical IDInChI Symmetry ClassEmpirical Chemical ShiftTheoretical Chemical ShiftExperimental Chemical ShiftLiterature NMR Data
1C3242219,23,722144.5131.612N_AN_A
2C2292733,15,8,91161.670.392N_AN_A
3C4272528,25,1944117.0130.700N_AN_A
4C4282627,22,2377149.5143.343N_AN_A
5C4252327,20,1488156.5169.307N_AN_A
6C4262421,22,201010153.5151.424N_AN_A
7C3333129,32,18,133384.184.857N_AN_A
8C3323033,31,17,125575.581.640N_AN_A
9C3312932,30,16,116674.279.340N_AN_A
10C3302831,23,18,109983.399.286N_AN_A
11N211926,4,51111N_A75.369N_AN_A
12N222028,26,61313N_A108.133N_AN_A
13N191724,271212N_A290.951N_AN_A
14N201825,261414N_A249.697N_AN_A
15N232124,28,301515N_A167.964N_AN_A
16O151329,11616N_AN_AN_AN_A
17O171532,31717N_AN_AN_AN_A
18O161431,21818N_AN_AN_AN_A
19O1412251919N_AN_AN_AN_A
20O181633,302020N_AN_AN_AN_A
21H8729N_AN_A3.5354.503N_AN_A
22H9729N_AN_A3.7855.411N_AN_A
23H131133N_AN_A3.915.373N_AN_A
24H121032N_AN_A3.654.917N_AN_A
25H11931N_AN_A3.665.860N_AN_A
26H10830N_AN_A6.036.884N_AN_A
27H7624N_AN_A8.158.139N_AN_A
28H4421N_AN_A6.634.232N_AN_A
29H5421N_AN_A6.633.674N_AN_A
30H6522N_AN_A4.07.952N_AN_A
31H1115N_AN_A4.780.572N_AN_A
32H3317N_AN_A4.812.557N_AN_A
33H2216N_AN_A4.813.218N_AN_A

Mass Spectra related

HMDB_MASS_SPEC: HMDB00133||

C12N14 Mass data:283.091668554
C13N14 Mass data:293.125216932
C12N15 Mass data:288.07684302
C13N15 Mass data:298.110391398

Miscellanea

Order_Status:DONE
Organism:aci; afu; ago; ape; atc; atu; ava; baa; bab; ban; bar; bas; bat; bba; bbr; bca; bce; bcl; bcz; bfs; bha; bja; bld; bli; bmb; bme; bms; bpa; bpe; bsu; bth; btk; buc; bur; cac; cal; cdi; cef; cel; cgb; cgl; cjk; cpe; cps; ctc; cte; cvi; daga; dame; dbmo; dcbr; dcgr; dcin; ddha; ddi; ddpo; dfru; dkla; dkwa; dmgr; dnc; dra; dre; dsba; dsmi; dspd; dtni; dvu; dyli; eca; ecc; ece; ecj; eco; ecs; efa; egma; egra; ehi; ehvu; elco; eosa; epta; esof; etae; fnu; ftu; gka; gox; hdu; hin; hit; hma; hpj; hpy; hsa; ilo; lin; lla; lmf; lmo; lpf; lpl; lpn; lpp; lxx; map; mbo; mca; mfl; mga; mge; mhj; mhp; mhy; mle; mlo; mmo; mmu; mmy; mpa; m; e; mpn; mpu; msu; msy; mtc; mth; mtu; nfa; nph; oih; pac; pae; pfl; pgi; pha; plu; pmu; ppr; ppu; psb; psp; pst; pto; 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; sme; smu; son; spa; spb; spg; spm; spn; spo; spr; sps; spt; spy; spz; s; o; ssp; stc; sth; stl; stm; sto; stt; sty; tbd; tbr; tcr; tde; tfu; tma; tpa; tte; tth; ttj; twh; tws; uur; vch; vfi; vpa; vvu; vvy; xcv; ype; ypk; ypm; yps; zmo; aae; aau; aav; aba; abo; ade; aeh; aha; ajs; ama; ana; aph; art; ath; azo; bcn; bfr; bma; bmf; bpm; bps; bta; bte; btl; bxe; cab; cbu; cca; cch; ccr; cfe; cff; chu; chy; cje; cjr; cmu; cno; cpa; cpf; cpj; cpn; cpr; cpt; csa; cta; ctr; cya; cyb; dar; dcnb; dde; deh; det; dge; dme; dncr; dps; dsy; dvl; eath; eba; ebna; ech; eci; ecn; ecp; ecsi; ecsv; egar; eles; eli; elsa; emte; emtr; epba; eppa; erg; eru; erw; esbi; esja; espu; estu; ezma; fal; fra; ftf; fth; ftl; gbe; gfo; gme; gsu; gvi; hac; hal; hch; hhe; hne; hpa; hso; hwa; jan; ko; lac; ldb; lic; lil; lip; lma; lsa; lsl; lwe; mac; mag; maq; mav; mba; mbu; mcp; mes; mfa; mhu; mja; mka; mkm; mma; mmc; mmp; mpe; msm; mst; mta; mva; mxa; nar; nca; net; neu; ngo; nha; nma; nme; nmu; noc; nse; nwi; osa; pai; pat; pca; pcr; pcu; pde; pen; pfo; plt; pma; pmi; pmm; pmn; pmt; pol; ptr; rde; ret; rfr; rha; rle; rme; rpb; rpc; rpd; rru; rxy; saa; sab; sal; sao; sat; saz; sbo; sdn; sdy; sfr; sfu; sgl; she; shm; shw; sit; spd; sph; spi; spj; spk; sru; ssn; sso; syc; syd; sye; syf; syg; syn; syw; tcx; tdn; tel; ter; tko; wbm; wbr; wol; wsu; xac; xcb; xcc; xfa; xft; xla; xom; xoo; xtr; ypa; ypn; aaeo63363; afer243159; aful2234; amar234826; anae240017; apha212042; asp62977; asp76114; avar240292; babo262698; baph198804; baph224915; bbac264462; bbro518; bbur139; bflo203907; bfra295405; bgar290434; bhal86665; bhen283166; bjap224911; blic279010; blon206672; bmal243160; bmel359391; bpar519; bper520; bpse28450; bqui283165; bsp107806; bsub1423; bsui204722; bthe226186; cace1488; 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; ecan269484; echa205920; ecol83334-1; 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; mgen2097; mhyo295358; mjan243232; mkan190192; mlep1769; mlot381; mmar267377; mmob267748; mmyc44101; mpen28227; mpul2107; mtbcdc; mthe187420; mxan246197; neur228410; nfar247156; ngon242231; nmen491; nmen65699; nmul323848; noce323261; npha348780; nsen222891; nsp103690; nwin323098; oihe182710; pacn267747; paer178306; paer287; parc259536; past100379; pcar338963; pfa; pfur186497; pgin242619; pint246198; plum243265; pmar167539; pmar59919; pmar74546; pmar74547; ppro298386; psp117; psp264201; ptor263820; rcon781; reut264198; rfel315456; rpro782; 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; ssp84588; sthe264199; sthe292459; sthe299768; 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; afm; afw; amt; ani; apl; asu; bam; bay; bbt; bch; bov; bra; cba; cbd; cbe; cbf; cbh; cbo; ccv; cdf; cfa; cha; ckl; cth; deb; dno; ecv; ent; fjo; fno; fps; ftw; gga; gur; har; hip; hiq; lbu; llm; lre; mbb; mgi; mjl; mmr; mms; mmw; mmz; msi; oan; pap; pau; pla; pmb; pmc; pme; pmf; pmg; pmy; ppf; prw; reh; rpe; sah; saj; sbl; sbm; sde; sen; sfv; shn; slo; smd; spc; spf; spu; ssa; swi; swo; syr; syx; tan; tet; tme; tpt; vco; xau; ypi; ypp
Location:
Isomer:
Salt:
Data Source:kegg;hmdb;pdb;biocyc
Similar Structure:
Comments: