N,N''-diacetylchitotriose
Chemical Formula:
C22H40N3O15
Molecular Weight:
586.569 Daltons
Monoisotopic Mass:
586.2459426311 Daltons
SMILES:
CC(=O)NC1(C(O)OC(CO)C(C(O)1)OC2(C([N+])C(O)C(C(CO)O2)OC3(OC(C(O)C(O)C(NC(C)=O)3)CO)))
InChI:
1S/C22H39N3O15/c1-6(29)24-12-17(34)19(9(4-27)36-20(12)35)39-21-11(23)15(32)18(10(5-28)38-21)40-22-13(25-7(2)30)16(33)14(31)8(3-26)37-22/h8-22,26-28,31-35H,3-5,23H2,1-2H3,(H,24,29)(H,25,30)/p+1/t8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20?,21+,22+/m1/s1
InChIKey:
Synonyms
- N-[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4R,5R,6S)-5-amino-6-{[(2R,3S,4R,5R,6R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Databases
MetaCyc:
CPD-13664
PubChem (CID):
122706318
Seed:
cpd23984
MetaNetX:
MNXM19537