PRD_900017

triacetyl-beta-chitotriose

PRD_900017 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 5NJR.

Find entries where PRD_900017 is present

Chemical Component Summary
Name	triacetyl-beta-chitotriose
Identifiers	~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-5-[(2~{S},3~{R},4~{R},5~{S},6~{R})-3-acetamido-5-[(2~{S},3~{R},4~{R},5~{S},6~{R}) -3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-4-oxidanyl-oxan-2-yl]oxy-6-(hydroxymethy l)-2,4-bis(oxidanyl)oxan-3-yl]ethanamide
Formula	C₂₄ H₄₁ N₃ O₁₆
Molecular Weight	627.593
Type	SACCHARIDE
Isomeric SMILES	CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3 )CO)O)O)NC(=O)C)O)NC(=O)C)O
InChI	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-VFCSDQTKSA-N
Composition	Polymer Sequences: NAG-NAG-NAG
BIRD class	INHIBITOR
Represented As	BRANCHED
Compound Details	n/a
Description	n/a

Chemical Details
Formal Charge	0
Atom Count	84
Chiral Atom Count	15
Bond Count	86
Aromatic Bond Count	0

Drug Info: DrugBank

DrugBank ID	DB04194 ?
Name	Triacetylchitotriose
Groups	experimental
Synonyms	N,N',N''-triacetyl chitotriose β-anomer β-N,N',N''-triacetylchitotriose Triacetylchitotriose
CAS number	13319-32-9

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Lysozyme C	MKALIVLGLVLLSVTVQGKVFERCELARTLKRLGMDGYRGISLANWMCLA...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682