N-Acetyllactosamine

HCID 439271CAS 18972-90-2
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@H]1O
InChIKey
KFEUJDWYNGMDBV-LODBTCKLSA-N
Molecular formula
C14H25NO11
Average molar mass
383.35 g/mol
Monoisotopic mass
383.14276061

Names & identifiers

Preferred name
N-Acetyllactosamine
IUPAC
N-[(2R,3R,4R,5S,6R)-2,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
English name
D-Galactopyranosyl
Molecular weight
0

Names & synonyms

N-acetyllactosamine32181-59-2CHEBI:16153beta-D-galactosyl-1,4-N-acetyl-D-glucosamineN-[(2R,3R,4R,5S,6R)-2,4-dihydroxy-6-(hydroxymethyl)-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]acetamideN-((2R,3R,4R,5S,6R)-2,4-dihydroxy-6-(hydroxymethyl)-5-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)oxan-3-yl)acetamideRefChem:162753GlyTouCan:G00055MOG00055MO3Y5B2K5OOKCHEMBL457432beta-D-galactosyl-1,4-N-acetyl-beta-D-glucosamine
Show more names
Azido 2-Acetamido-2-deoxy-3,4,6-tri-O-acetyl-&beta
N-[(2R,3R,4R,5S,6R)-2,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamideD-galactopyranosyl3ehnGalb1-4GlcNAcbdelta-galactopyranosylGalbeta1-4GlcNAcbetaEpitope ID:130646betaGal(1->4)betaGlcNAc

Database identifiers

CAS
18972-90-2、32181-59-2
PubChem CID
439271
DTXSID
DTXSID10954045
ChEMBL
CHEMBL457432
ChEBI
CHEBI:16153
EC Number
636-520-5
Nikkaji
J972.480J

Properties

Computed structural properties

XLogP
-4.7
Topological polar surface area
198 Ų
Hydrogen bond donors
8
Hydrogen bond acceptors
11
Rotatable bonds
5
Heavy atoms
26

Experimental & physicochemical properties

Physical DescriptionSolid

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory InformationD-Galactopyranosyl: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Regulatory information

Regulatory InformationD-Galactopyranosyl: Does not have an individual approval but may be used under an appropriate group standard

Chemistry & industry

Pharmacology

Tissue LocationsEpidermis；Intestine；Spleen
Cellular LocationsCytoplasm

Suppliers1 total

美国生物[email protected]

Related reactions

1 records
New reaction record

Linked notes

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