raffinose

Chemical Formula:

C₁₈H₃₂O₁₆

Molecular Weight:

504.441 Daltons

Monoisotopic Mass:

504.1690349808 Daltons

SMILES:

C(OC1(C(C(C(C(CO)O1)O)O)O))C2(C(C(C(C(O2)OC3(CO)(C(C(C(CO)O3)O)O))O)O)O)

InChI:

1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16+,17-,18+/m1/s1

InChIKey:

MUPFEKGTMRGPLJ-ZQSKZDJDSA-N

Synonyms

melitose
melitriose
gossypose
6G-α-D-galactosylsucrose
(2S,3R,4S,5S,6R)-2-[[(2R,3R,4S,5R,6R)-6-[(2S,3S,4R,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxy-oxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
α-D-Galp-(1->6)-α-D-Glcp-(1->2)-β-D-Fruf
α-D-galactopyranosyl-(1->6)-α-D-glucopyranosyl-(1->2)-β-D-fructofuranoside
D-raffinose

Databases

MetaCyc: CPD-1099

RefMet: Raffinose

MetaboLights: MTBLC16634

HMDB: HMDB03213

KEGG GLYCAN: G00249

ChemSpider: 388379

PubChem (CID): 439242

ChEBI: 16634

KEGG: C00492

CAS: 512-69-6

Seed: cpd00382

MetaNetX: MNXM621

PupChem (SID): 3775

CHEMBL: CHEMBL175500 CHEMBL603717

PDB-CCD: RAF

KNApSAcK: C00001145

3DMET: B01266

NIKKAJI: J9.760H