Standard Compound Records

Database Entry: cq_00261

2D-Structure

3D-Structure

(Powered by ChemAxon Marvin)

Basic Information

Name:dGMP;2'-Deoxyguanosine 5'-monophosphate;2'-Deoxyguanosine 5'-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate
Synonyms:dGMP;2'-Deoxyguanosine 5'-monophosphate;2'-Deoxyguanosine 5'-phosphate;Deoxyguanylic acid;Deoxyguanosine monophosphate;2'-Deoxy-5'-guanylic acid;2'-Deoxy-GMP;2'-Deoxyguanosine 5'-phosphoric acid;2'-Deoxyguanosine 5'MP;2'-Deoxyguanylic acid;2'-dGMP;33430-61-4;5'-DGMP;5'-Deoxyguanylic acid;5'-Guanylic acid, 2'-deoxy- (9CI);902-04-5;Deoxy GMP;Deoxy-GMP;Deoxyguanosine 5'-monophosphate;Deoxyguanosine 5'-phosphate;Deoxyguanylate;EINECS 212-988-2;Guanosine, 2'-deoxy-, 5'-(dihydrogen phosphate) (8CI);Guanosine, 2'-deoxy-, 5'-phosphoric acid;NSC 82626;[(2S,3R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxyphosphonic acid;[(2S,3R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-oxolan-2-yl]methoxyphosphonic acid;HMDB01044;;2'-Deoxy-5'-GMP;2'-Deoxy-5'-guanylate;2'-Deoxyguanosine 5'-monophosphic acid;2'-Deoxyguanylate;2'-dG-5'-MP;2'-deoxy-Guanosine 5'-(dihydrogen phosphate);2'-deoxy-Guanosine 5'-phosphate;2'-deoxy-Guanosine phosphate;2'-deoxyguanosine-5'-phosphate;G;Vernine;deoxyguanosine-phosphate;guanine riboside;[5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-oxolan-2-yl]methoxyphosphonic acid
Molecular Weight:347.221221
Formula:C10H14N5O7P
CAS:33430-61-4;902-04-5
Isomeric SMILES:C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC(=NC3=O)N)COP(=O)(O)O)O
Canonical SMILES:C1C(C(OC1N2C=NC3=C2NC(=NC3=O)N)COP(=O)(O)O)O
InChI:InChI=1/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1
Experimental Water Solubility:
Predicted Water Solubility:2.6 mg/mL [Predicted by ALOGPS]
Experimental LogP(octanol-water):
Predicted LogP(octanol-water):-1.91 [Predicted by ALOGPS]; -2.7 [Predicted by PubChem via XLOGP]

Biology and Chemistry related

KEGG Compound ID:C00362
PubChem SID:207013
PubChem CID:65059
ChemIDplus:000902045
CHEBI:16192
HMDB:|HMDB01044|
PDB Component ID:|DGP||DG|
MetaCyc ID:|DGMP|
UM-BBD ID:
BMRB ID:

NMR related

MMCD Experimental_NMR: expnmr_00340 ||

HMDB_EXPERIMENTAL_HSQC: HMDB01044||

Atom IDAtom TypeSMILES Canonical IDSMILES Symmetry ClassNeighborsInChI Canonical IDInChI Symmetry ClassEmpirical Chemical ShiftTheoretical Chemical ShiftExperimental Chemical ShiftLiterature NMR Data
1C3272222,26,733144.5N_AN_AN_A
2C2332835,34,10,111140.5N_AN_AN_A
3C2322736,21,8,92262.0N_AN_AN_A
4C4302531,28,2277117.0N_AN_AN_A
5C4312630,25,2688149.5N_AN_AN_A
6C4282330,23,1599156.5N_AN_AN_A
7C4292424,25,231010153.5N_AN_AN_A
8C3353033,36,17,134470.7N_AN_AN_A
9C3342933,26,20,126675.9N_AN_AN_A
10C3363132,35,20,145587.7N_AN_AN_A
11N241929,4,51111N_AN_AN_AN_A
12N252031,29,61313N_AN_AN_AN_A
13N221727,301212N_AN_AN_AN_A
14N231828,291414N_AN_AN_AN_A
15N262127,31,341515N_AN_AN_AN_A
16O171335,11616N_AN_AN_AN_A
17O181437,21818N_AN_AN_AN_A
18O191437,31918N_AN_AN_AN_A
19O1511281717N_AN_AN_AN_A
20O1612372018N_AN_AN_AN_A
21O201534,362222N_AN_AN_AN_A
22O211632,372121N_AN_AN_AN_A
23P373218,19,16,212323N_AN_AN_AN_A
24H10733N_AN_A2.315N_AN_AN_A
25H11733N_AN_A2.565N_AN_AN_A
26H8632N_AN_A4.035N_AN_AN_A
27H9632N_AN_A4.285N_AN_AN_A
28H13935N_AN_A3.57N_AN_AN_A
29H12834N_AN_A5.95N_AN_AN_A
30H141036N_AN_A3.91N_AN_AN_A
31H7527N_AN_A8.15N_AN_AN_A
32H4324N_AN_A6.63N_AN_AN_A
33H5324N_AN_A6.63N_AN_AN_A
34H6425N_AN_A4.0N_AN_AN_A
35H1117N_AN_A4.81N_AN_AN_A
36H2218N_AN_A2.0N_AN_AN_A
37H3219N_AN_A2.0N_AN_AN_A

Mass Spectra related

C12N14 Mass data:347.06308434
C13N14 Mass data:357.096632718
C12N15 Mass data:352.048258806
C13N15 Mass data:362.081807184

Miscellanea

Order_Status:DONE
Organism:aae; aci; afu; ago; ama; ana; atc; ath; atu; ava; baa; bab; ban; bar; bas; bat; bba; bbr; bca; bce; bcl; bcz; bfl; bfs; 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; 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; dre; dsba; dsmi; dspd; dtan; dtni; dvu; dyli; eath; eba; eca; ecc; ece; ecj; ecn; eco; ecs; ecsi; ecu; efa; egma; egra; ehi; ehvu; eles; emtr; eosa; eppa; epta; erg; eru; erw; esbi; esof; estu; etae; ezma; fnu; ftu; gka; gox; gsu; gvi; hdu; hhe; hin; hit; hpj; hpy; hsa; ilo; lac; lil; lin; ljo; lla; lmf; lmo; lpf; lpl; lpn; lpp; lxx; map; mbo; mca; mfl; mga; mge; mhj; mhp; mhy; mle; mlo; mmo; mmu; mmy; mpa; mpe; mpn; mpu; msu; msy; mtc; mth; mtu; neu; nfa; ngo; nma; nme; noc; nph; nwi; oih; pac; pae; par; pcu; pfa; pfl; pfo; pgi; pha; plu; pma; pmm; pmn; pmt; pmu; poy; ppr; ppu; psb; psp; pst; pub; rba; rco; reu; rfe; rno; rpa; rpr; rso; rsp; rty; sac; sag; 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; ssp; stc; sth; stl; stm; stt; sty; syc; syn; syw; tbd; tcr; tel; tfu; tma; tpa; tpv; tte; tth; ttj; twh; tws; uur; vch; vfi; vpa; vvu; vvy; wbm; wbr; wol; wsu; xac; xcb; xcc; xcv; xfa; xft; xoo; ype; ypk; ypm; yps; zmo; aav; aba; abo; ace; ade; aeh; aha; ajs; ape; aph; art; ayw; azo; bam; bbk; bch; bci; bcn; bfr; bmf; bpm; bpn; bta; bte; btl; bxe; cch; cfe; cff; chu; cno; cpf; cph; cpr; csa; cya; cyb; dde; dge; dsy; dvl; ebna; ech; eci; ecp; ecsv; egar; elco; eli; elsa; emte; epba; esja; espu; fal; fra; ftf; fth; ftl; gbe; gfo; gme; hac; hal; hch; hha; hma; hne; hpa; hso; hwa; jan; ko; ldb; lic; lip; lma; lsa; lsl; lwe; mac; mag; maq; mav; mba; mbu; mcp; mes; mfa; mgm; mhu; mja; mka; mkm; mma; mmc; mmp; mmr; msm; mst; mta; mva; mxa; nar; nca; net; nha; nmu; nse; osa; pai; pat; pca; pcr; pde; pen; pin; plt; pmi; pna; pol; ppd; pto; ptr; rbe; rde; reh; ret; rfr; rha; rle; rma; rme; rpb; rpc; rpd; rpe; rru; rxy; saa; sab; sal; sao; sat; saz; sbo; sde; sdn; sdy; sfr; sgl; she; shm; shw; sit; spd; sph; spi; spj; spk; sru; ssn; sus; swo; syd; sye; syf; syg; tbr; tcx; tdn; ter; tko; xla; xom; xtr; ypa; ypn; asp76114; babo262698; baph198804; bfra295405; bhen283166; bjap224911; blic279010; blon206672; bqui283165; bthe226186; cace1488; cblo291272; ceff196164; cjej195099; cper1502; cpne182082; cvio243365; daro159087; dpsy177439; ecol83334-1; erum302405; gmet269799; gvio251221; hduc233412; hpyl85963; human; iloi283942; laci272621; ljoh257314; llac1360; lpla220668; lpne297245; lpne297246; lxyl281090; mlot381; mmyc44101; mpen28227; mpul2107; neur228410; nfar247156; nsp103690; paer287; past100379; pcar338963; plum243265; pmar167539; ppro298386; psp264201; rpro782; rsph272943; saur282458; saur282459; save227882; sboy300268; scoe1902; sdys300267; selo269084; sepi176280; sfle198214; spyo160490; spyo186103; spyo295319; sthe264199; sthe292459; sthe299768; telo197221; tten119072; tthe300852; uure2130; vcho; vpar223926; vvul216895; wsp80849; wsuc844; xaxo190486; xcam314565; xfas183190; ypes187410; acr; afm; afw; amt; ani; apl; asu; bay; bbt; bcy; bml; bmn; bmv; bov; bpd; bpl; bra; bvi; cba; cbd; cbe; cbf; cbh; cbo; ccv; cdf; cfa; cha; ckl; cmi; csc; cth; deb; dpkn; drm; ecv; ent; fjo; fno; fps; ftw; gga; gur; har; hip; hiq; kra; lbu; llm; lre; mbb; mgi; mjl; mms; mmw; mmz; mpt; msi; nis; nmc; oan; ots; pap; pau; pic; pla; pmb; pmc; pme; pmf; pmg; pmy; pnu; ppf; prw; pvi; rrs; rsh; rsq; sah; saj; sbl; sbm; sen; sfv; shn; slo; smd; spc; spf; spu; ssa; sun; swi; syr; syx; tan; tet; tme; tpt; vco; vei; vok; xau; ypi; ypp
Location:Fridge C UW Box 1 C6
Isomer:
Salt:
Data Source:kegg;hmdb;pdb;biocyc
Similar Structure:|cq_14955||cq_12870|
Comments: