2D: | ![]() |
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3D: | |
CAS Number: | 13007-32-4 |
FDA UNII: | BY63N40B1L |
Category: | food additive |
IUPAC Name: | lacto-N-neotetraose |
InChI : | InChI=1/C26H45NO21/c1-7(33)27-13-17(39)22(47-25-19(41)18(40)15(37)10(4-30)43-25)12(6-32)45-24(13)48-23-16(38)11(5-31)44-26(20(23)42)46-21(9(35)3-29)14(36)8(34)2-28/h2,8-26,29-32,34-42H,3-6H2,1H3,(H,27,33)/t8-,9+,10+,11+,12+,13+,14+,15-,16-,17+,18-,19+,20+,21+,22+,23-,24-,25-,26-/m0/s1 |
Std.InChI: | InChI=1S/C26H45NO21/c1-7(33)27-13-17(39)22(47-25-19(41)18(40)15(37)10(4-30)43-25)12(6-32)45-24(13)48-23-16(38)11(5-31)44-26(20(23)42)46-21(9(35)3-29)14(36)8(34)2-28/h2,8-26,29-32,34-42H,3-6H2,1H3,(H,27,33)/t8-,9+,10+,11+,12+,13+,14+,15-,16-,17+,18-,19+,20+,21+,22+,23-,24-,25-,26-/m0/s1 |
InChIKey : | RBMYDHMFFAVMMM-PLQWBNBWBA |
Std.InChIKey: | RBMYDHMFFAVMMM-PLQWBNBWSA-N |
SMILES : | CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)CO)O)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O |
MDL: | MFCD00467190 |
Molar Refractivity : | 138.71 ± 0.5 cm3 (est) |
Parachor : | 1106.1 ± 8.0 cm3 (est) |
Index of Refraction : | 1.681 ± 0.05 (est) |
Surface Tension : | 83.1 ± 7.0 dyne/cm (est) |
Density : | 1.93 ± 0.1 g/cm3 (est) |
Polarizability : | 54.98 ± 0.5 10-24cm3 (est) |
Google Scholar: | Search |
Google Books: | Search |
Google Scholar: with word "volatile" | Search |
Google Scholar: with word "flavor" | Search |
Google Scholar: with word "odor" | Search |
Google Patents: | Search |
US Patents: | Search |
EU Patents: | Search |
Pubchem Patents: | Search |
PubMed: | Search |
NCBI: | Search |
FDA/DG SANTE Petitions, Reviews, Notices: | |
GRN 547 | Lacto-N-neotetraose View - notice PDF |
GRN 659 | Lacto-N-neotetraose View - notice PDF |
GRN 895 | Lacto-N-neotetraose View - notice PDF |
GRN 919 | Lacto-N-neotetraose View - notice PDF |
Assay: | 95.00 to 100.00 |
Food Chemicals Codex Listed: | No |
Soluble in: | |
water, 1e+006 mg/L @ 25 °C (est) |
None found |
BOC Sciences |
For experimental / research use only. |
Lacto-N-neotetraose |
Carbosynth |
For experimental / research use only. |
Lacto-N-neotetraose |
Santa Cruz Biotechnology |
For experimental / research use only. |
Lacto-N-neo-tetraose |
Sigma-Aldrich: Sigma |
For experimental / research use only. |
Lacto-N-neo-tetraose synthetic, ≥85% (HPLC) |
Preferred SDS: View | |
Hazards identification | |
Classification of the substance or mixture | |
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
None found. | |
GHS Label elements, including precautionary statements | |
Pictogram | |
Hazard statement(s) | |
None found. | |
Precautionary statement(s) | |
None found. | |
Oral/Parenteral Toxicity: | |
Not determined | |
Dermal Toxicity: | |
Not determined | |
Inhalation Toxicity: | |
Not determined |
Category: | |||
food additive | |||
Recommendation for lacto-N-neotetraose usage levels up to: | |||
not for fragrance use. | |||
Recommendation for lacto-N-neotetraose flavor usage levels up to: | |||
not for flavor use. |
European Food Safety Authority (EFSA) reference(s): |
Safety of lacto-N-neotetraose as a novel food ingredient pursuant to Regulation (EC) No 258/97 View page or View pdf |
Statement on the safety of lacto-N-neotetraose and 2'-O-fucosyllactose as novel food ingredients in food supplements for children View page or View pdf |
Safety of lacto-N-tetraose (LNT) as a novel food pursuant to Regulation (EU) 2015/2283 View page or View pdf |
EPI System: View |
AIDS Citations:Search |
Cancer Citations:Search |
Toxicology Citations:Search |
EPA ACToR:Toxicology Data |
EPA Substance Registry Services (SRS):Registry |
Laboratory Chemical Safety Summary :121853 |
National Institute of Allergy and Infectious Diseases:Data |
WGK Germany:3 |
N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide |
Chemidplus:0013007324 |
N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide | |
NIST Chemistry WebBook: | Search Inchi |
Pubchem (cid): | 121853 |
Pubchem (sid): | 135077814 |
(IUPAC): | Atomic Weights of the Elements 2011 (pdf) |
Videos: | The Periodic Table of Videos |
tgsc: | Atomic Weights use for this web site |
(IUPAC): | Periodic Table of the Elements |
HMDB (The Human Metabolome Database): | HMDB06567 |
FooDB: | FDB010844 |
FDA Listing of Food Additive Status: | View |
VCF-Online: | VCF Volatile Compounds in Food |
ChemSpider: | View |
None Found |
None Found |
N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5R,6S)-3,5- | dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide |
D- | glucose, O-beta-D-galactopyranosyl-(1-4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1-3)-O-beta-D-galactopyranosyl-(1-4)- |
lacto-N-tetraose |