Showing NP-Card for 4-Methylumbelliferyl-galactopyranoside (NP0352366)
| Record Information | ||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Version | 2.0 | |||||||||||||||
| Created at | 2026-02-09 03:03:49 UTC | |||||||||||||||
| Updated at | 2026-02-09 04:01:14 UTC | |||||||||||||||
| NP-MRD ID | NP0352366 | |||||||||||||||
| Natural Product DOI | https://doi.org/10.57994/5884 | |||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||
| Natural Product Identification | ||||||||||||||||
| Common Name | 4-Methylumbelliferyl-galactopyranoside | |||||||||||||||
| Description | 4-Methylumbelliferyl-galactopyranoside was first documented in 2015 (PMID: 26690097). | |||||||||||||||
| Structure |  MOL for NP0352366 (4-Methylumbelliferyl-galactopyranoside)
Mrv2104 03102300172D
24 26 0 0 0 0 999 V2000
0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2868 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0013 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0013 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2868 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7158 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4302 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7158 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2868 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
4 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 2 0 0 0 0
2 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 2 0 0 0 0
7 12 1 0 0 0 0
11 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
14 19 1 0 0 0 0
18 20 1 0 0 0 0
20 21 1 0 0 0 0
17 22 1 0 0 0 0
16 23 1 0 0 0 0
15 24 1 0 0 0 0
M END
3D SDF for NP0352366 (4-Methylumbelliferyl-galactopyranoside)
Mrv2104 03102300172D
24 26 0 0 0 0 999 V2000
0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2868 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0013 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0013 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2868 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7158 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4302 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7158 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2868 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
4 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 2 0 0 0 0
2 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 2 0 0 0 0
7 12 1 0 0 0 0
11 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
14 19 1 0 0 0 0
18 20 1 0 0 0 0
20 21 1 0 0 0 0
17 22 1 0 0 0 0
16 23 1 0 0 0 0
15 24 1 0 0 0 0
M END
> <DATABASE_ID>
NP0352366
> <DATABASE_NAME>
NP-MRD
> <SMILES>
CC1=CC(=O)OC2=C1C=CC(OC1OC(CO)C(O)C(O)C1O)=C2
> <INCHI_IDENTIFIER>
InChI=1/C16H18O8/c1-7-4-12(18)23-10-5-8(2-3-9(7)10)22-16-15(21)14(20)13(19)11(6-17)24-16/h2-5,11,13-17,19-21H,6H2,1H3
> <INCHI_KEY>
YUDPTGPSBJVHCN-UHFFFAOYNA-N
> <FORMULA>
C16H18O8
> <MOLECULAR_WEIGHT>
338.312
> <EXACT_MASS>
338.10016754
$$$$
PDB for NP0352366 (4-Methylumbelliferyl-galactopyranoside)HEADER PROTEIN 10-MAR-23 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 10-MAR-23 0 HETATM 1 C UNK 0 0.000 1.540 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 0.000 -0.000 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 -1.334 -0.770 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 -1.334 -2.310 0.000 0.00 0.00 C+0 HETATM 5 O UNK 0 -2.667 -3.080 0.000 0.00 0.00 O+0 HETATM 6 O UNK 0 0.000 -3.080 0.000 0.00 0.00 O+0 HETATM 7 C UNK 0 1.334 -2.310 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 1.334 -0.770 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 2.667 -0.000 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 4.001 -0.770 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 4.001 -2.310 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 2.667 -3.080 0.000 0.00 0.00 C+0 HETATM 13 O UNK 0 5.335 -3.080 0.000 0.00 0.00 O+0 HETATM 14 C UNK 0 6.668 -2.310 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 6.668 -0.770 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 8.002 0.000 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 9.336 -0.770 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 9.336 -2.310 0.000 0.00 0.00 C+0 HETATM 19 O UNK 0 8.002 -3.080 0.000 0.00 0.00 O+0 HETATM 20 C UNK 0 10.669 -3.080 0.000 0.00 0.00 C+0 HETATM 21 O UNK 0 12.003 -2.310 0.000 0.00 0.00 O+0 HETATM 22 O UNK 0 10.669 -0.000 0.000 0.00 0.00 O+0 HETATM 23 O UNK 0 8.002 1.540 0.000 0.00 0.00 O+0 HETATM 24 O UNK 0 5.335 0.000 0.000 0.00 0.00 O+0 CONECT 1 2 CONECT 2 1 3 8 CONECT 3 2 4 CONECT 4 3 5 6 CONECT 5 4 CONECT 6 4 7 CONECT 7 6 8 12 CONECT 8 7 2 9 CONECT 9 8 10 CONECT 10 9 11 CONECT 11 10 12 13 CONECT 12 11 7 CONECT 13 11 14 CONECT 14 13 15 19 CONECT 15 14 16 24 CONECT 16 15 17 23 CONECT 17 16 18 22 CONECT 18 17 19 20 CONECT 19 18 14 CONECT 20 18 21 CONECT 21 20 CONECT 22 17 CONECT 23 16 CONECT 24 15 MASTER 0 0 0 0 0 0 0 0 24 0 52 0 END SMILES for NP0352366 (4-Methylumbelliferyl-galactopyranoside)CC1=CC(=O)OC2=C1C=CC(OC1OC(CO)C(O)C(O)C1O)=C2 INCHI for NP0352366 (4-Methylumbelliferyl-galactopyranoside)InChI=1/C16H18O8/c1-7-4-12(18)23-10-5-8(2-3-9(7)10)22-16-15(21)14(20)13(19)11(6-17)24-16/h2-5,11,13-17,19-21H,6H2,1H3 3D Structure for NP0352366 (4-Methylumbelliferyl-galactopyranoside) | |||||||||||||||
| Synonyms | Not Available | |||||||||||||||
| Chemical Formula | C16H18O8 | |||||||||||||||
| Average Mass | 338.3120 Da | |||||||||||||||
| Monoisotopic Mass | 338.10017 Da | |||||||||||||||
| IUPAC Name | Not Available | |||||||||||||||
| Traditional Name | Not Available | |||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||
| SMILES | CC1=CC(=O)OC2=C1C=CC(OC1OC(CO)C(O)C(O)C1O)=C2 | |||||||||||||||
| InChI Identifier | InChI=1/C16H18O8/c1-7-4-12(18)23-10-5-8(2-3-9(7)10)22-16-15(21)14(20)13(19)11(6-17)24-16/h2-5,11,13-17,19-21H,6H2,1H3 | |||||||||||||||
| InChI Key | YUDPTGPSBJVHCN-UHFFFAOYNA-N | |||||||||||||||
| Experimental Spectra | ||||||||||||||||
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| Predicted Spectra | ||||||||||||||||
| Not Available | ||||||||||||||||
| Chemical Shift Submissions | ||||||||||||||||
| Not Available | ||||||||||||||||
| Species | ||||||||||||||||
| Species of Origin | Not Available | |||||||||||||||
| Chemical Taxonomy | ||||||||||||||||
| Classification | Not classified | |||||||||||||||
| Physical Properties | ||||||||||||||||
| State | Not Available | |||||||||||||||
| Experimental Properties |
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| Predicted Properties |
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| External Links | ||||||||||||||||
| External Links | Not Available | |||||||||||||||
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| General References | ||||||||||||||||
