UCSF

ZINC12495683

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 19 No

Popular Name: Geranyl-PP Geranyl-PP

Find On: PubMed — Wikipedia — Google

CAS Numbers: 116057-55-7 , 763-10-0

Other Names:

(2E)-3,7-dimethylocta-2,6-dien-1-yl trihydrogen diphosphate; geranyl diphosphate; Geranyl pyrophosphic acid; geranyl-diphosphate; geranyl-PP; geranyl-pyrophosphate; Monoterpenyl diphosphate; Neryl diphosphate; trans-geranyl pyrophosphate

(2E)-3,7-dimethylocta-2,6-dien-1-yl trihydrogen diphosphate; Geranyl diphosphate; Geranyl-PP; Geranyl-diphosphate; Geranyl-pyrophosphate; Monoterpenyl diphosphate; Neryl diphosphate; trans-Geranyl pyrophosphate

(2E)-3,7-dimethylocta-2,6-dien-1-yl trihydrogen diphosphate;Geranyl diphosphate;Geranyl-diphosphate;Geranyl-PP;Geranyl-pyrophosphate;Monoterpenyl diphosphate;Neryl diphosphate;trans-Geranyl pyrophosphate

(2E)-3,7-dimethylocta-2,6-dien-1-yl trihydrogen diphosphate;Geranyl diphosphate;Geranyl-PP;Geranyl-diphosphate;Geranyl-pyrophosphate;Monoterpenyl diphosphate;Neryl diphosphate;trans-Geranyl pyrophosphate

all-trans-polyprenyl diphosphate

C00341; Geranyl diphosphate

C05847; Polyisopentenyldiphosphate; Polyisopentenylpyrophosphate; Polyprenyl diphosphate; all-trans-Polyprenyl diphosphate; trans-Polyisopentenyldiphosphate

CHEBI:5332; CHEBI:42877; CHEBI:24223; CHEBI:14299

Geranyl Diphosphate

Geranyl Diphosphate-TA

geranyl pyrophosphate

GERANYL PYROPHOSPHATE AMMONIUM 200

Geranyl pyrophosphate ammonium salt

Geranyl pyrophosphate, triammonium salt

GERANYLPYROPHOSPHATEAMMONIUMSALT

GPP; geranyl diphosphate; geranyl pyrophosphate; geranyl-PP; geranyl-diphosphate; geranyl-pyrophosphate; omega,E-geranyl diphosphate

Polyisopentenyldiphosphate; Polyisopentenylpyrophosphate; Polyprenyl diphosphate; trans-Polyisopentenyldiphosphate

{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy(hydroxy)phosphoryl}oxyphosphonic acid

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.53 6.17 -241.74 0 7 -3 122 311.187 8 ↓
Mid Mid (pH 6-8) 1.53 5.02 -121.89 1 7 -2 119 312.195 8 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links 3CAR1_PICAB; 3CAR1_PICGL; 3CAR1_PICSI; 3CAR2_PICSI; 3CAR3_PICSI; ACSS_MAIZE; AFS1_MALDO; CHRDS_ARTSI; CIN1_ARATH; CIN2_ARATH; CLDS_CISCR; ECS1_ARTAN; EFPP_MYCBO; EFPP_MYCTU; FARS_ARTAN; FES_OCIBA; FNTA_DICDI; FNTA_SCHPO; FNTA_YEAST; FPPS1_ARATH; FPPS1_ART ChEBI
UniProt Database Links 4HPT_ARATH; CHLG_AVESA; COQ1_NEUCR; COQ1_YARLI; COQ1_YEAST; COQ2_AEDAE; COQ2_BOVIN; COQ2_CAEEL; COQ2_DICDI; COQ2_DROME; COQ2_DROPS; COQ2_HUMAN; COQ2_MOUSE; COQ2_RAT; COQ2_SCHPO; COQ2_YEAST; DDPS1_ARATH; DPDP_THEFY; DPDS_MYCBO; DPDS_MYCLE; DPDS_MYCS2; DPDS ChEBI
ALOGPS_SOLUBILITY 9.02e-01 g/l DrugBank-experimental
Reactome Database Links REACT_9451; REACT_9467 ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50725-6-O Trypanosoma Brucei Rhodesiense (cluster #6 Of 7), Other Other 3710 0.40 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50725 Z50725 Trypanosoma Brucei Rhodesiense 3710 0.40 Functional ≤ 10μM

Direct Reactome Annotations (via ChEBI)

Description Species
Cholesterol biosynthesis

Analogs ( Draw Identity 99% 90% 80% 70% )