Exact Mass: 719.4009
Exact Mass Matches: 719.4009
Found 133 metabolites which its exact mass value is equals to given mass value 719.4009,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Erythromycin
(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-4-[(2R,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
D004791 - Enzyme Inhibitors > D011500 - Protein Synthesis Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D005765 - Gastrointestinal Agents
Carfilzomib
2-[(1-Hydroxy-2-{[1-hydroxy-2-(morpholin-4-yl)ethylidene]amino}-4-phenylbutylidene)amino]-4-methyl-N-(1-{[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]-C-hydroxycarbonimidoyl}-2-phenylethyl)pentanimidate
Erythromycin C
4-[(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy]-6-{[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione
D004791 - Enzyme Inhibitors > D011500 - Protein Synthesis Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D005765 - Gastrointestinal Agents
Erythromycin C
Erythromycin C
An erythromycin that consists of erythronolide A having 2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyl and 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl residues attahced at positions 4 and 6 respectively. D004791 - Enzyme Inhibitors > D011500 - Protein Synthesis Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D005765 - Gastrointestinal Agents
Carfilzomib
Carfilzomib
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01X - Other antineoplastic agents > L01XG - Proteasome inhibitors C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2160 - Proteasome Inhibitor C471 - Enzyme Inhibitor
(16alpha,20R,24R)-24N,25-carbamoyloxy-2,16,20-trihydroxycucurbita-1,5-diene-3,11,22-trione 2-O-beta-D-glucopyranoside
(16alpha,20R,24R)-24N,25-carbamoyloxy-2,16,20-trihydroxycucurbita-1,5-diene-3,11,22-trione 2-O-beta-D-glucopyranoside
A triterpenoid saponin of the class of cucurbitane glycosides isolated from the roots of Machilus yaoshansis. It has been shown to exhibit inhibitory activity against protein tyrosine phosphatase.
[[(1S,2R,3S)-2-methyl-3-[(1E,5E,9E)-2,6,10,14-tetramethylpentadeca-1,5,9,13-tetraenyl]-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]cyclopropyl]methoxy-oxidophosphoryl] phosphate
[[(1S,2R,3S)-2-methyl-3-[(1E,5E,9E)-2,6,10,14-tetramethylpentadeca-1,5,9,13-tetraenyl]-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]cyclopropyl]methoxy-oxidophosphoryl] phosphate
(2Z,6Z,10Z,14Z,18Z,22Z,26E)-octaprenyl diphosphate
(2Z,6Z,10Z,14Z,18Z,22Z,26E)-octaprenyl diphosphate
4-[4-[3-[(3,4-Dihydroxybenzoyl)amino]propylazaniumyl]butylamino]-2-[2-[4-[3-[(3,4-dihydroxybenzoyl)amino]propylazaniumyl]butylamino]-2-oxoethyl]-2-hydroxy-4-oxobutanoate
4-[4-[3-[(3,4-Dihydroxybenzoyl)amino]propylazaniumyl]butylamino]-2-[2-[4-[3-[(3,4-dihydroxybenzoyl)amino]propylazaniumyl]butylamino]-2-oxoethyl]-2-hydroxy-4-oxobutanoate
Kitastatin 1
Kitastatin 1
An 18-membered cyclodepsipeptide having a 3-amino-2-hydroxybenzoyl group attached to the amino terminus. It is isolated from an Alaskan Kitasatospora sp. and exhibits antineoplastic activity.
N-(2-aminophenyl)-N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide
N-(2-aminophenyl)-N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide
3-cyclohexyl-1-[[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methylurea
3-cyclohexyl-1-[[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methylurea
N-(2-aminophenyl)-N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide
N-(2-aminophenyl)-N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide
N-(2-aminophenyl)-N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide
N-(2-aminophenyl)-N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide
N-(2-aminophenyl)-N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide
N-(2-aminophenyl)-N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide
3-cyclohexyl-1-[[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methylurea
3-cyclohexyl-1-[[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methylurea
N-(2-aminophenyl)-N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide
N-(2-aminophenyl)-N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide
N-(2-aminophenyl)-N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide
N-(2-aminophenyl)-N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide
1-[[(3S,9R,10S)-16-[[(cyclohexylamino)-oxomethyl]amino]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
1-[[(3S,9R,10S)-16-[[(cyclohexylamino)-oxomethyl]amino]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
N-(2-aminophenyl)-N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide
N-(2-aminophenyl)-N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide
3-cyclohexyl-1-[[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methylurea
3-cyclohexyl-1-[[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methylurea
N-(2-aminophenyl)-N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide
N-(2-aminophenyl)-N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide
3-cyclohexyl-1-[[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methylurea
3-cyclohexyl-1-[[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methylurea
3-cyclohexyl-1-[[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methylurea
3-cyclohexyl-1-[[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methylurea
2-amino-3-[2,3-bis[[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]oxy]propoxy-hydroxyphosphoryl]oxypropanoic acid
2-amino-3-[2,3-bis[[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]oxy]propoxy-hydroxyphosphoryl]oxypropanoic acid
(Z)-N-[(E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyundec-4-en-2-yl]tridec-9-enamide
(Z)-N-[(E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyundec-4-en-2-yl]tridec-9-enamide
N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyoctadeca-4,8-dien-2-yl]hexanamide
N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyoctadeca-4,8-dien-2-yl]hexanamide
N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxytrideca-4,8-dien-2-yl]undecanamide
N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxytrideca-4,8-dien-2-yl]undecanamide
N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxynonadeca-4,8-dien-2-yl]pentanamide
N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxynonadeca-4,8-dien-2-yl]pentanamide
N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyhexadeca-4,8-dien-2-yl]octanamide
N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyhexadeca-4,8-dien-2-yl]octanamide
(Z)-N-[(E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxynon-4-en-2-yl]pentadec-9-enamide
(Z)-N-[(E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxynon-4-en-2-yl]pentadec-9-enamide
N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxydodeca-4,8-dien-2-yl]dodecanamide
N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxydodeca-4,8-dien-2-yl]dodecanamide
N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyhenicosa-4,8-dien-2-yl]propanamide
N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyhenicosa-4,8-dien-2-yl]propanamide
(9Z,12Z)-N-[1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyoctan-2-yl]hexadeca-9,12-dienamide
(9Z,12Z)-N-[1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyoctan-2-yl]hexadeca-9,12-dienamide
N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyheptadeca-4,8-dien-2-yl]heptanamide
N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyheptadeca-4,8-dien-2-yl]heptanamide
N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxypentadeca-4,8-dien-2-yl]nonanamide
N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxypentadeca-4,8-dien-2-yl]nonanamide
(Z)-N-[(E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyoct-4-en-2-yl]hexadec-9-enamide
(Z)-N-[(E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyoct-4-en-2-yl]hexadec-9-enamide
N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyicosa-4,8-dien-2-yl]butanamide
N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyicosa-4,8-dien-2-yl]butanamide
(Z)-N-[(E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxydec-4-en-2-yl]tetradec-9-enamide
(Z)-N-[(E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxydec-4-en-2-yl]tetradec-9-enamide
N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxytetradeca-4,8-dien-2-yl]decanamide
N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxytetradeca-4,8-dien-2-yl]decanamide
N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxydocosa-4,8-dien-2-yl]acetamide
N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxydocosa-4,8-dien-2-yl]acetamide
(2S)-2-amino-3-[[3-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxy-2-[(9E,11E,13E)-hexadeca-9,11,13-trienoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
(2S)-2-amino-3-[[3-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxy-2-[(9E,11E,13E)-hexadeca-9,11,13-trienoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
(2S)-2-amino-3-[[2-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxy-3-[(9E,11E,13E)-hexadeca-9,11,13-trienoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
(2S)-2-amino-3-[[2-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxy-3-[(9E,11E,13E)-hexadeca-9,11,13-trienoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
(2S)-2-amino-3-[2,3-bis[[(7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoyl]oxy]propoxy-hydroxyphosphoryl]oxypropanoic acid
(2S)-2-amino-3-[2,3-bis[[(7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoyl]oxy]propoxy-hydroxyphosphoryl]oxypropanoic acid
All-trans-octaprenyl diphosphate(2-)
All-trans-octaprenyl diphosphate(2-)
Trianion of all-trans-octaprenyl diphosphate arising from deprotonation of all three diphosphate OH groups; major species at pH 7.3
(3R,6R,9R,12S,15R,21S)-3,9-bis(benzyl)-15-isobutyl-6-methyl-12-methylol-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone
(3R,6R,9R,12S,15R,21S)-12-(hydroxymethyl)-6-methyl-15-(2-methylpropyl)-3,9-bis(phenylmethyl)-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone; (3R,6R,9R,12S,15R,21S)-12-(hydroxymethyl)-15-isobutyl-6-methyl-3,9-bis(phenylmethyl)-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone
{"Ingredient_id": "HBIN009561","Ingredient_name": "(3R,6R,9R,12S,15R,21S)-3,9-bis(benzyl)-15-isobutyl-6-methyl-12-methylol-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone","Alias": "(3R,6R,9R,12S,15R,21S)-12-(hydroxymethyl)-6-methyl-15-(2-methylpropyl)-3,9-bis(phenylmethyl)-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone; (3R,6R,9R,12S,15R,21S)-12-(hydroxymethyl)-15-isobutyl-6-methyl-3,9-bis(phenylmethyl)-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone","Ingredient_formula": "C37H49N7O8","Ingredient_Smile": "NA","Ingredient_weight": "719.83","OB_score": "2.988732182","CAS_id": "164991-91-7","SymMap_id": "SMIT10118","TCMID_id": "NA","TCMSP_id": "MOL008909","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-{[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-[(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy]-5,7,9,11,13-pentamethyl-1-oxacyclotetradecane-2,10-dione
6-{[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-[(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy]-5,7,9,11,13-pentamethyl-1-oxacyclotetradecane-2,10-dione
(2e)-4-{[(2r,4r,5s,6s)-2-hydroxy-2-[(2s,3r,4s)-3-hydroxy-4-[(2r,3s,4e,6e,9s,10s,11r,12e,14z)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl]-6-isopropyl-5-methyloxan-4-yl]oxy}-4-oxobut-2-enimidic acid
(2e)-4-{[(2r,4r,5s,6s)-2-hydroxy-2-[(2s,3r,4s)-3-hydroxy-4-[(2r,3s,4e,6e,9s,10s,11r,12e,14z)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl]-6-isopropyl-5-methyloxan-4-yl]oxy}-4-oxobut-2-enimidic acid
(1r,2r,3as,3bs,9ar,9br,11ar)-2-hydroxy-1-[(2r)-2-hydroxy-4-[(4r)-2-hydroxy-5,5-dimethyl-4h-1,3-oxazol-4-yl]-3-oxobutan-2-yl]-3a,6,6,9b,11a-pentamethyl-8-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3bh,4h,9ah,11h-cyclopenta[a]phenanthrene-7,10-dione
(1r,2r,3as,3bs,9ar,9br,11ar)-2-hydroxy-1-[(2r)-2-hydroxy-4-[(4r)-2-hydroxy-5,5-dimethyl-4h-1,3-oxazol-4-yl]-3-oxobutan-2-yl]-3a,6,6,9b,11a-pentamethyl-8-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3bh,4h,9ah,11h-cyclopenta[a]phenanthrene-7,10-dione
(2e)-4-{[(2r,4r,5s,6r)-2-hydroxy-2-[(2s,3r,4s)-3-hydroxy-4-[(2r,3s,4z,6z,9s,10s,11r,12z,14e)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl]-6-isopropyl-5-methyloxan-4-yl]oxy}-4-oxobut-2-enimidic acid
(2e)-4-{[(2r,4r,5s,6r)-2-hydroxy-2-[(2s,3r,4s)-3-hydroxy-4-[(2r,3s,4z,6z,9s,10s,11r,12z,14e)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl]-6-isopropyl-5-methyloxan-4-yl]oxy}-4-oxobut-2-enimidic acid
12,18-dibenzyl-1,4,7,10,13,16-hexahydroxy-9-(hydroxymethyl)-15-methyl-6-(2-methylpropyl)-3h,6h,9h,12h,15h,18h,21h,22h,23h,23ah-pyrrolo[1,2-a]1,4,7,10,13,16,19-heptaazacyclohenicosan-19-one
12,18-dibenzyl-1,4,7,10,13,16-hexahydroxy-9-(hydroxymethyl)-15-methyl-6-(2-methylpropyl)-3h,6h,9h,12h,15h,18h,21h,22h,23h,23ah-pyrrolo[1,2-a]1,4,7,10,13,16,19-heptaazacyclohenicosan-19-one
3-amino-n-[(2r,5r,8s,13s,16r,17s)-5-[(2r)-butan-2-yl]-6-hydroxy-2,10,10,16-tetramethyl-8,13-bis(2-methylpropyl)-3,9,11,14,18-pentaoxo-1,4,12,15-tetraoxa-7-azacyclooctadec-6-en-17-yl]-2-hydroxybenzenecarboximidic acid
3-amino-n-[(2r,5r,8s,13s,16r,17s)-5-[(2r)-butan-2-yl]-6-hydroxy-2,10,10,16-tetramethyl-8,13-bis(2-methylpropyl)-3,9,11,14,18-pentaoxo-1,4,12,15-tetraoxa-7-azacyclooctadec-6-en-17-yl]-2-hydroxybenzenecarboximidic acid
3-amino-2-hydroxy-n-[6-hydroxy-2,10,10,16-tetramethyl-8,13-bis(2-methylpropyl)-3,9,11,14,18-pentaoxo-5-(sec-butyl)-1,4,12,15-tetraoxa-7-azacyclooctadec-6-en-17-yl]benzenecarboximidic acid
3-amino-2-hydroxy-n-[6-hydroxy-2,10,10,16-tetramethyl-8,13-bis(2-methylpropyl)-3,9,11,14,18-pentaoxo-5-(sec-butyl)-1,4,12,15-tetraoxa-7-azacyclooctadec-6-en-17-yl]benzenecarboximidic acid
4-({2-[(1,3-dihydroxy-4-{[1-hydroxy-2-({1-hydroxy-2-[(1-hydroxy-3-methylbutylidene)amino]-3-methylbutylidene}amino)-3-methylbutylidene]amino}-6-methylheptylidene)amino]-1-hydroxypropylidene}amino)-3-hydroxy-5-phenylpentanoic acid
4-({2-[(1,3-dihydroxy-4-{[1-hydroxy-2-({1-hydroxy-2-[(1-hydroxy-3-methylbutylidene)amino]-3-methylbutylidene}amino)-3-methylbutylidene]amino}-6-methylheptylidene)amino]-1-hydroxypropylidene}amino)-3-hydroxy-5-phenylpentanoic acid
(1s,2s,6s,9s,10s,11r,12r,13s,14s,15s,16r,18s,19s,22s,23s,25r)-16-(acetyloxy)-10,12,14,23-tetrahydroxy-6,10,19-trimethyl-13-{[(2r)-2-methylbutanoyl]oxy}-24-oxa-4-azaheptacyclo[12.12.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁵.0¹⁸,²³.0¹⁹,²⁵]hexacosan-22-yl (2r)-2-methylbutanoate
(1s,2s,6s,9s,10s,11r,12r,13s,14s,15s,16r,18s,19s,22s,23s,25r)-16-(acetyloxy)-10,12,14,23-tetrahydroxy-6,10,19-trimethyl-13-{[(2r)-2-methylbutanoyl]oxy}-24-oxa-4-azaheptacyclo[12.12.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁵.0¹⁸,²³.0¹⁹,²⁵]hexacosan-22-yl (2r)-2-methylbutanoate
(3s,4s)-4-{[(2r)-2-{[(3s,4r)-1,3-dihydroxy-4-{[(2r)-1-hydroxy-2-{[(2r)-1-hydroxy-2-[(1-hydroxy-3-methylbutylidene)amino]-3-methylbutylidene]amino}-3-methylbutylidene]amino}-6-methylheptylidene]amino}-1-hydroxypropylidene]amino}-3-hydroxy-5-phenylpentanoic acid
(3s,4s)-4-{[(2r)-2-{[(3s,4r)-1,3-dihydroxy-4-{[(2r)-1-hydroxy-2-{[(2r)-1-hydroxy-2-[(1-hydroxy-3-methylbutylidene)amino]-3-methylbutylidene]amino}-3-methylbutylidene]amino}-6-methylheptylidene]amino}-1-hydroxypropylidene]amino}-3-hydroxy-5-phenylpentanoic acid
4-({2-hydroxy-2-[3-hydroxy-4-(10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl)pentan-2-yl]-6-isopropyl-5-methyloxan-4-yl}oxy)-4-oxobut-2-enimidic acid
4-({2-hydroxy-2-[3-hydroxy-4-(10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl)pentan-2-yl]-6-isopropyl-5-methyloxan-4-yl}oxy)-4-oxobut-2-enimidic acid
3-hydroxy-4-{[1-hydroxy-2-({1-hydroxy-2-[(1-hydroxybutylidene)amino]-3-methylbutylidene}amino)-3-methylbutylidene]amino}-n-{1-[(3-hydroxy-5-methoxy-5-oxo-1-phenylpentan-2-yl)-c-hydroxycarbonimidoyl]ethyl}-6-methylheptanimidic acid
3-hydroxy-4-{[1-hydroxy-2-({1-hydroxy-2-[(1-hydroxybutylidene)amino]-3-methylbutylidene}amino)-3-methylbutylidene]amino}-n-{1-[(3-hydroxy-5-methoxy-5-oxo-1-phenylpentan-2-yl)-c-hydroxycarbonimidoyl]ethyl}-6-methylheptanimidic acid
3-amino-2-hydroxy-n-[(2s,5s,8s,13s,16r,17s)-6-hydroxy-2,10,10,16-tetramethyl-8,13-bis(2-methylpropyl)-3,9,11,14,18-pentaoxo-5-(sec-butyl)-1,4,12,15-tetraoxa-7-azacyclooctadec-6-en-17-yl]benzenecarboximidic acid
3-amino-2-hydroxy-n-[(2s,5s,8s,13s,16r,17s)-6-hydroxy-2,10,10,16-tetramethyl-8,13-bis(2-methylpropyl)-3,9,11,14,18-pentaoxo-5-(sec-butyl)-1,4,12,15-tetraoxa-7-azacyclooctadec-6-en-17-yl]benzenecarboximidic acid
(2e)-4-{[(2r,4r,5s,6s)-2-hydroxy-2-[(2s,3r,4s)-3-hydroxy-4-[(2r,3s,4e,6e,9s,10s,11r,12e,14e)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl]-6-isopropyl-5-methyloxan-4-yl]oxy}-4-oxobut-2-enimidic acid
(2e)-4-{[(2r,4r,5s,6s)-2-hydroxy-2-[(2s,3r,4s)-3-hydroxy-4-[(2r,3s,4e,6e,9s,10s,11r,12e,14e)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl]-6-isopropyl-5-methyloxan-4-yl]oxy}-4-oxobut-2-enimidic acid
(6s,9s,12s,15s,18s,23as)-12,18-dibenzyl-1,4,7,10,13,16-hexahydroxy-9-(hydroxymethyl)-15-methyl-6-(2-methylpropyl)-3h,6h,9h,12h,15h,18h,21h,22h,23h,23ah-pyrrolo[1,2-a]1,4,7,10,13,16,19-heptaazacyclohenicosan-19-one
(6s,9s,12s,15s,18s,23as)-12,18-dibenzyl-1,4,7,10,13,16-hexahydroxy-9-(hydroxymethyl)-15-methyl-6-(2-methylpropyl)-3h,6h,9h,12h,15h,18h,21h,22h,23h,23ah-pyrrolo[1,2-a]1,4,7,10,13,16,19-heptaazacyclohenicosan-19-one
(2s)-2-[(1-hydroxy-2-{[(1s,2r)-2-hydroxy-1-{[(1s,2s)-2-hydroxy-1-{[(1s)-3-methyl-1-{[2-(2-methylpropyl)-3-oxooxolan-2-yl]-c-hydroxycarbonimidoyl}butyl]-c-hydroxycarbonimidoyl}propyl]-c-hydroxycarbonimidoyl}propyl]-c-hydroxycarbonimidoyl}-2-methylethylidene)amino]-3-phenylpropanoic acid
(2s)-2-[(1-hydroxy-2-{[(1s,2r)-2-hydroxy-1-{[(1s,2s)-2-hydroxy-1-{[(1s)-3-methyl-1-{[2-(2-methylpropyl)-3-oxooxolan-2-yl]-c-hydroxycarbonimidoyl}butyl]-c-hydroxycarbonimidoyl}propyl]-c-hydroxycarbonimidoyl}propyl]-c-hydroxycarbonimidoyl}-2-methylethylidene)amino]-3-phenylpropanoic acid
16-(acetyloxy)-10,12,14,23-tetrahydroxy-6,10,19-trimethyl-13-[(2-methylbutanoyl)oxy]-24-oxa-4-azaheptacyclo[12.12.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁵.0¹⁸,²³.0¹⁹,²⁵]hexacosan-22-yl 2-methylbutanoate
16-(acetyloxy)-10,12,14,23-tetrahydroxy-6,10,19-trimethyl-13-[(2-methylbutanoyl)oxy]-24-oxa-4-azaheptacyclo[12.12.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁵.0¹⁸,²³.0¹⁹,²⁵]hexacosan-22-yl 2-methylbutanoate
(3r,4s)-4-{[(2s)-2-{[(3s,4r)-1,3-dihydroxy-4-{[(2s)-1-hydroxy-2-{[(2s)-1-hydroxy-2-[(1-hydroxy-3-methylbutylidene)amino]-2-phenylethylidene]amino}-3-methylbutylidene]amino}-6-methylheptylidene]amino}-1-hydroxypropylidene]amino}-3-hydroxy-6-methylheptanoic acid
(3r,4s)-4-{[(2s)-2-{[(3s,4r)-1,3-dihydroxy-4-{[(2s)-1-hydroxy-2-{[(2s)-1-hydroxy-2-[(1-hydroxy-3-methylbutylidene)amino]-2-phenylethylidene]amino}-3-methylbutylidene]amino}-6-methylheptylidene]amino}-1-hydroxypropylidene]amino}-3-hydroxy-6-methylheptanoic acid
4-({2-[(1,3-dihydroxy-4-{[1-hydroxy-2-({1-hydroxy-2-[(1-hydroxy-3-methylbutylidene)amino]-2-phenylethylidene}amino)-3-methylbutylidene]amino}-6-methylheptylidene)amino]-1-hydroxypropylidene}amino)-3-hydroxy-6-methylheptanoic acid
4-({2-[(1,3-dihydroxy-4-{[1-hydroxy-2-({1-hydroxy-2-[(1-hydroxy-3-methylbutylidene)amino]-2-phenylethylidene}amino)-3-methylbutylidene]amino}-6-methylheptylidene)amino]-1-hydroxypropylidene}amino)-3-hydroxy-6-methylheptanoic acid
