UCSF

ZINC04095531

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 23 No

Popular Name: trehalose trehalose

Find On: PubMed — Wikipedia — Google

CAS Numbers: 61370-87-2 , 6138-23-4 , 99-20-7

Other Names:

(Glc)2; D-(+)-trehalose; alpha,alpha-trehalose; alpha-D-Glcp-(1<->1)-alpha-D-Glcp; alpha-D-Trehalose; alpha-D-glucopyranosyl-alpha-D-glucopyranoside; alpha-trehalose; ergot sugar; mycose

99-20-7; C01083; Trehalose; alpha,alpha'-Trehalose; alpha,alpha-Trehalose

99-20-7; D-trehalose; alpha,alpha-trehalose; trehalose

?-D-Glucopyranosyl-?-D-glucopyranoside

alpha,alpha-trehalose

alpha,alpha-trehalose; D-trehalose-anhydrous; delta-trehalose-anhydrous

alpha,alpha-Trehalose;D-Trehalose-anhydrous;delta-Trehalose-anhydrous

alpha-D-Glucopyranosyl-alpha-D-glucopyranoside

CHEBI:12281; CHEBI:12284; CHEBI:12287; CHEBI:46211; CHEBI:10202; CHEBI:22365; CHEBI:15251

D(+)-Trehalose

D(+)-Trehalose dihydrate

D(+)-Trehalose dihydrate, 99%

D-(+)-trehalose

D-(+)-Trehalose Anhydrous

D-(+)-TREHALOSE DIHYDRATE

D-(+)-Trehalose dihydrate, 99%

D-(+)-TURANOSE

D-Trehalose

D-Trehalose dihydrate

D-Trehalose, 99%, anhydrous

D-Trehalose-anhydrous;alpha,alpha-Trehalose;delta-Trehalose-anhydrous

Ergot sugar; Mycose; Natural trehalose; TREHALOSE, DIHYDRATE; Trehalose; alpha,alpha'-Trehalose; alpha,alpha-Trehalose; alpha-D-Glucopyranoside, alpha-D-glucopyranosyl; alpha-D-Trehalose; bmse000125

Ergot sugar; Mycose; Natural trehalose; TREHALOSE, DIHYDRATE; Trehalose; alpha,alpha'-Trehalose; alpha,alpha-Trehalose; alpha-D-Glucopyranoside, alpha-D-glucopyranosyl; alpha-D-Trehalose; bmse000815

Ergot sugar; Mycose; Natural trehalose; TREHALOSE, DIHYDRATE; Trehalose; alpha,alpha'-Trehalose; alpha,alpha-Trehalose; alpha-D-Glucopyranoside, alpha-D-glucopyranosyl; alpha-D-Trehalose; bmse000876

MFCD00006628

MFCD00071594

TYR-D-ALA-GLY-PHE-MET

^a-D-Glucopyranosyl-^a-D-glucopyranoside

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) -2.95 -17.37 -10.5 8 11 0 189 342.297 4 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 203 Acros Organics
MP 205 TCI
UniProt Database Links 3OAGR_CLOPH; A85A_MYCAV; A85A_MYCBO; A85A_MYCBP; A85A_MYCGO; A85A_MYCLE; A85A_MYCMR; A85A_MYCTU; A85A_MYCUL; A85B_MYCAV; A85B_MYCBO; A85B_MYCBP; A85B_MYCIA; A85B_MYCKA; A85B_MYCLE; A85B_MYCS2; A85B_MYCSC; A85B_MYCTA; A85B_MYCTU; A85C_MYCAV; A85C_MYCBO; A8 ChEBI
Purity 95% Fluorochem
Mp [°C] 97 - 99 Acros Organics
Melting_Point 97-99? Alfa-Aesar
Melting_Point 97-99° Alfa-Aesar
Patent Database Links EP0864580; EP1219604; EP1308171; EP1504673; EP1504675; EP1508331; EP1510215; EP1510223; EP1512404; EP1512429; EP1516615; EP1516628; EP1516923; EP1525889; EP1531160; EP1537858; EP1547472; EP1547599; EP1555033; EP1557463; EP1561469; EP1570842; EP1579771; EP ChEBI
H phrase H315: Causes skin irritation Acros Organics
P phrase P302+ P352: IF ON SKIN: Wash with plenty of soap and water Acros Organics
R phrase R38: Irritating to skin. Acros Organics
Reactome Database Links REACT_9425 ChEBI
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
Hazard XI: Irritant Acros Organics

Activity (Go SEA)

Direct Reactome Annotations (via ChEBI)

Description Species
Digestion of dietary carbohydrate
Trehalose biosynthesis

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