Showing NP-Card for Lucyobroside (NP0335935)
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Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||
Created at | 2024-09-11 03:56:13 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
Updated at | 2024-09-11 03:56:13 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
NP-MRD ID | NP0335935 | |||||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||
Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | Lucyobroside | |||||||||||||||||||||||||||||||||||||||||||||||||||
Description | Based on a literature review very few articles have been published on Lucyobroside. | |||||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for NP0335935 (Lucyobroside)Mrv2104 05262306282D 49 49 0 0 0 0 999 V2000 30.7223 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.0078 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2933 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.5788 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8644 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1499 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4354 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7210 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0065 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2920 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5775 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8631 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1486 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5749 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4341 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2894 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7197 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0039 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0052 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7184 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2907 7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5762 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5762 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2907 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4328 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5762 7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8618 7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1473 7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1473 6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1473 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8618 6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8618 3.7125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.0052 7.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2907 2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4328 2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8618 8.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4328 7.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4328 6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1473 4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8618 5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5762 6.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 7 5 1 0 0 0 0 8 6 1 0 0 0 0 9 7 1 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 12 10 1 0 0 0 0 13 11 1 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 16 15 1 0 0 0 0 17 16 1 0 0 0 0 18 17 1 0 0 0 0 19 14 1 0 0 0 0 20 18 2 0 0 0 0 21 20 1 0 0 0 0 22 19 1 0 0 0 0 23 21 1 0 0 0 0 24 22 1 0 0 0 0 25 23 1 0 0 0 0 26 24 1 0 0 0 0 27 25 2 0 0 0 0 28 26 1 0 0 0 0 31 30 1 0 0 0 0 32 27 1 0 0 0 0 32 31 1 0 0 0 0 33 28 1 0 0 0 0 34 29 1 0 0 0 0 35 34 1 0 0 0 0 36 35 1 0 0 0 0 37 36 1 0 0 0 0 38 33 1 0 0 0 0 39 37 1 0 0 0 0 40 31 1 0 0 0 0 40 38 2 0 0 0 0 41 29 1 0 0 0 0 42 32 1 0 0 0 0 43 33 1 0 0 0 0 44 35 1 0 0 0 0 45 36 1 0 0 0 0 46 37 1 0 0 0 0 47 38 1 0 0 0 0 48 30 1 0 0 0 0 48 39 1 0 0 0 0 49 34 1 0 0 0 0 49 39 1 0 0 0 0 M END 3D SDF for NP0335935 (Lucyobroside)Mrv2104 05262306282D 49 49 0 0 0 0 999 V2000 30.7223 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.0078 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2933 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.5788 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8644 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1499 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4354 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7210 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0065 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2920 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5775 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8631 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1486 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5749 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4341 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2894 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7197 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0039 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0052 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7184 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2907 7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5762 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5762 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2907 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4328 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5762 7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8618 7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1473 7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1473 6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1473 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8618 6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8618 3.7125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.0052 7.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2907 2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4328 2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8618 8.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4328 7.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4328 6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1473 4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8618 5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5762 6.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 7 5 1 0 0 0 0 8 6 1 0 0 0 0 9 7 1 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 12 10 1 0 0 0 0 13 11 1 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 16 15 1 0 0 0 0 17 16 1 0 0 0 0 18 17 1 0 0 0 0 19 14 1 0 0 0 0 20 18 2 0 0 0 0 21 20 1 0 0 0 0 22 19 1 0 0 0 0 23 21 1 0 0 0 0 24 22 1 0 0 0 0 25 23 1 0 0 0 0 26 24 1 0 0 0 0 27 25 2 0 0 0 0 28 26 1 0 0 0 0 31 30 1 0 0 0 0 32 27 1 0 0 0 0 32 31 1 0 0 0 0 33 28 1 0 0 0 0 34 29 1 0 0 0 0 35 34 1 0 0 0 0 36 35 1 0 0 0 0 37 36 1 0 0 0 0 38 33 1 0 0 0 0 39 37 1 0 0 0 0 40 31 1 0 0 0 0 40 38 2 0 0 0 0 41 29 1 0 0 0 0 42 32 1 0 0 0 0 43 33 1 0 0 0 0 44 35 1 0 0 0 0 45 36 1 0 0 0 0 46 37 1 0 0 0 0 47 38 1 0 0 0 0 48 30 1 0 0 0 0 48 39 1 0 0 0 0 49 34 1 0 0 0 0 49 39 1 0 0 0 0 M END > <DATABASE_ID> NP0335935 > <DATABASE_NAME> NP-MRD > <SMILES> CCCCCCCCCCCCC(O)C(\O)=N\C(COC1OC(CO)C(O)C(O)C1O)C(O)\C=C\CC\C=C\CCCCCCCCCC > <INCHI_IDENTIFIER> InChI=1/C39H73NO9/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-32(42)31(30-48-39-37(46)36(45)35(44)34(29-41)49-39)40-38(47)33(43)28-26-24-22-19-14-12-10-8-6-4-2/h18,20,25,27,31-37,39,41-46H,3-17,19,21-24,26,28-30H2,1-2H3,(H,40,47)/b20-18+,27-25+ > <INCHI_KEY> ILIBLZKROFPFRG-OQHYMBEVNA-N > <FORMULA> C39H73NO9 > <MOLECULAR_WEIGHT> 700.011 > <EXACT_MASS> 699.528532935 > <JCHEM_ACCEPTOR_COUNT> 10 > <JCHEM_ATOM_COUNT> 122 > <JCHEM_AVERAGE_POLARIZABILITY> 86.2401725677433 > <JCHEM_BIOAVAILABILITY> 0 > <JCHEM_DONOR_COUNT> 7 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> (Z)-2-hydroxy-N-[(4E,8E)-3-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}nonadeca-4,8-dien-2-yl]tetradecanimidic acid > <JCHEM_LOGP> 8.236567382666667 > <JCHEM_MDDR_LIKE_RULE> 0 > <JCHEM_NUMBER_OF_RINGS> 1 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_PKA> 12.203428504857106 > <JCHEM_PKA_STRONGEST_ACIDIC> 3.9775095473787987 > <JCHEM_PKA_STRONGEST_BASIC> 1.722004743204488 > <JCHEM_POLAR_SURFACE_AREA> 172.42999999999998 > <JCHEM_REFRACTIVITY> 196.71850000000003 > <JCHEM_ROTATABLE_BOND_COUNT> 31 > <JCHEM_RULE_OF_FIVE> 0 > <JCHEM_TRADITIONAL_IUPAC> (Z)-2-hydroxy-N-[(4E,8E)-3-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}nonadeca-4,8-dien-2-yl]tetradecanimidic acid > <JCHEM_VEBER_RULE> 0 $$$$ PDB for NP0335935 (Lucyobroside)HEADER PROTEIN 26-MAY-23 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 26-MAY-23 0 HETATM 1 C UNK 0 57.348 6.930 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 14.671 6.930 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 56.015 7.700 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 16.004 7.700 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 54.681 6.930 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 17.338 6.930 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 53.347 7.700 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 18.672 7.700 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 52.014 6.930 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 20.005 6.930 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 50.680 7.700 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 21.339 7.700 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 49.346 6.930 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 22.673 6.930 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 48.013 7.700 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 46.679 6.930 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 45.345 7.700 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 44.011 6.930 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 24.006 7.700 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 42.678 7.700 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 41.344 6.930 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 25.340 6.930 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 40.010 7.700 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 26.674 7.700 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 38.677 6.930 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 28.007 6.930 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 37.343 7.700 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 29.341 7.700 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 36.009 14.630 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 34.676 9.240 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 34.676 7.700 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 36.009 6.930 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 30.675 6.930 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 34.676 13.860 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 33.342 14.630 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 32.008 13.860 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 32.008 12.320 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 32.008 7.700 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 33.342 11.550 0.000 0.00 0.00 C+0 HETATM 40 N UNK 0 33.342 6.930 0.000 0.00 0.00 N+0 HETATM 41 O UNK 0 37.343 13.860 0.000 0.00 0.00 O+0 HETATM 42 O UNK 0 36.009 5.390 0.000 0.00 0.00 O+0 HETATM 43 O UNK 0 30.675 5.390 0.000 0.00 0.00 O+0 HETATM 44 O UNK 0 33.342 16.170 0.000 0.00 0.00 O+0 HETATM 45 O UNK 0 30.675 14.630 0.000 0.00 0.00 O+0 HETATM 46 O UNK 0 30.675 11.550 0.000 0.00 0.00 O+0 HETATM 47 O UNK 0 32.008 9.240 0.000 0.00 0.00 O+0 HETATM 48 O UNK 0 33.342 10.010 0.000 0.00 0.00 O+0 HETATM 49 O UNK 0 34.676 12.320 0.000 0.00 0.00 O+0 CONECT 1 3 CONECT 2 4 CONECT 3 1 5 CONECT 4 2 6 CONECT 5 3 7 CONECT 6 4 8 CONECT 7 5 9 CONECT 8 6 10 CONECT 9 7 11 CONECT 10 8 12 CONECT 11 9 13 CONECT 12 10 14 CONECT 13 11 15 CONECT 14 12 19 CONECT 15 13 16 CONECT 16 15 17 CONECT 17 16 18 CONECT 18 17 20 CONECT 19 14 22 CONECT 20 18 21 CONECT 21 20 23 CONECT 22 19 24 CONECT 23 21 25 CONECT 24 22 26 CONECT 25 23 27 CONECT 26 24 28 CONECT 27 25 32 CONECT 28 26 33 CONECT 29 34 41 CONECT 30 31 48 CONECT 31 30 32 40 CONECT 32 27 31 42 CONECT 33 28 38 43 CONECT 34 29 35 49 CONECT 35 34 36 44 CONECT 36 35 37 45 CONECT 37 36 39 46 CONECT 38 33 40 47 CONECT 39 37 48 49 CONECT 40 31 38 CONECT 41 29 CONECT 42 32 CONECT 43 33 CONECT 44 35 CONECT 45 36 CONECT 46 37 CONECT 47 38 CONECT 48 30 39 CONECT 49 34 39 MASTER 0 0 0 0 0 0 0 0 49 0 98 0 END SMILES for NP0335935 (Lucyobroside)CCCCCCCCCCCCC(O)C(\O)=N\C(COC1OC(CO)C(O)C(O)C1O)C(O)\C=C\CC\C=C\CCCCCCCCCC INCHI for NP0335935 (Lucyobroside)InChI=1/C39H73NO9/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-32(42)31(30-48-39-37(46)36(45)35(44)34(29-41)49-39)40-38(47)33(43)28-26-24-22-19-14-12-10-8-6-4-2/h18,20,25,27,31-37,39,41-46H,3-17,19,21-24,26,28-30H2,1-2H3,(H,40,47)/b20-18+,27-25+ 3D Structure for NP0335935 (Lucyobroside) | |||||||||||||||||||||||||||||||||||||||||||||||||||
Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Formula | C39H73NO9 | |||||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | 700.0110 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | 699.52853 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | (Z)-2-hydroxy-N-[(4E,8E)-3-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}nonadeca-4,8-dien-2-yl]tetradecanimidic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | (Z)-2-hydroxy-N-[(4E,8E)-3-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}nonadeca-4,8-dien-2-yl]tetradecanimidic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | CCCCCCCCCCCCC(O)C(\O)=N\C(COC1OC(CO)C(O)C(O)C1O)C(O)\C=C\CC\C=C\CCCCCCCCCC | |||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1/C39H73NO9/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-32(42)31(30-48-39-37(46)36(45)35(44)34(29-41)49-39)40-38(47)33(43)28-26-24-22-19-14-12-10-8-6-4-2/h18,20,25,27,31-37,39,41-46H,3-17,19,21-24,26,28-30H2,1-2H3,(H,40,47)/b20-18+,27-25+ | |||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | ILIBLZKROFPFRG-OQHYMBEVNA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||
Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||
Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||
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 | ||||||||||||||||||||||||||||||||||||||||||||||||||||
HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
Chemspider ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
PubChem Compound | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
References | ||||||||||||||||||||||||||||||||||||||||||||||||||||
General References | Not Available |