N,N',N''-triacetylchitotriose

Chemical Formula:

C₂₄H₄₁N₃O₁₆

Molecular Weight:

627.598 Daltons

Monoisotopic Mass:

627.2486822853 Daltons

SMILES:

CC(=O)NC1(C(O)OC(CO)C(C(O)1)OC2(C(NC(C)=O)C(O)C(C(CO)O2)OC3(OC(C(O)C(O)C(NC(C)=O)3)CO)))

InChI:

1S/C24H41N3O16/c1-7(31)25-13-18(36)20(11(5-29)39-22(13)38)42-24-15(27-9(3)33)19(37)21(12(6-30)41-24)43-23-14(26-8(2)32)17(35)16(34)10(4-28)40-23/h10-24,28-30,34-38H,4-6H2,1-3H3,(H,25,31)(H,26,32)(H,27,33)/t10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22?,23+,24+/m1/s1

InChIKey:

WZZVUHWLNMNWLW-MEWKLCDLSA-N

Synonyms

triacetylchitotriose

Databases

MetaCyc: CPD-13227

PubChem (CID): 10930193

ChEBI: 71404 143141

ChemSpider: 392429

Reactome: 6786654

Seed: cpd23788

HMDB: HMDB06578

MetaNetX: MNXM153398