α,α-trehalose 6-phosphate

Chemical Formula:

C₁₂H₂₁O₁₄P

Molecular Weight:

420.263 Daltons

Monoisotopic Mass:

422.08254195769996 Daltons

SMILES:

C(C1(OC(C(C(C1O)O)O)OC2(C(C(C(C(O2)COP([O-])(=O)[O-])O)O)O)))O

InChI:

1S/C12H23O14P/c13-1-3-5(14)7(16)9(18)11(24-3)26-12-10(19)8(17)6(15)4(25-12)2-23-27(20,21)22/h3-19H,1-2H2,(H2,20,21,22)/p-2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1

InChIKey:

LABSPYBHMPDTEL-LIZSDCNHSA-L

Synonyms

α,α-D-trehalose 6-phosphate

Databases

MetaCyc: TREHALOSE-6P

BiGG: tre6p

HMDB: HMDB01124

ChEBI: 58429 18283

PubChem (CID): 25246105

KEGG: C00689

CAS: 4484-88-2

Reactome: 868701

Seed: cpd00523

MetaNetX: MNXM448

PupChem (SID): 3958

KNApSAcK: C00007451

PDB-CCD: T6P

3DMET: B01312

NIKKAJI: J741.923F