Exact Mass: 584.3713
Exact Mass Matches: 584.3713
Found 344 metabolites which its exact mass value is equals to given mass value 584.3713
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Bevirimat
Bevirimat is a pentacyclic triterpenoid obtained by the formal condensation of 2,2-dimethylsuccinic acid with the 3-hydroxy group of betulinic acid. It is isolated from the Chinese herb Syzygium claviflorum. The first in the class of HIV-1 maturation inhibitors to be studied in humans, bevirimat was identified as a potent HIV drug candidate and several clinical trials were conducted, but development into a new drug was plagued by numerous resistance-related problems. It has a role as a metabolite and a HIV-1 maturation inhibitor. It is a pentacyclic triterpenoid, a dicarboxylic acid monoester and a monocarboxylic acid. It is functionally related to a betulinic acid. Bevirimat, also known as PA-457 or YK-FH312, is investigated in clinical trials for treating HIV infection. Bevirimat is a solid. This compound belongs to the androgens and derivatives, which are hydroxylated C19 steroid hormones. They are known to favour the development of masculine characteristics. They also show profound effects on scalp and body hair in humans. Bevirimat targets the protein gag-pol polyprotein. Bevirimat is derived from a betulinic acid-like compound, first isolated from Syzygium claviflorum, a Chinese herb. It is not currently FDA-approved, but is undergoing clinical trials conducted by the pharmaceutical company Panacos. Bevirimat is a drug derived from a betulinic acid-like compound, first isolated from the Chinese herb Syzygium claviflorum, with activity against human immunodeficiency virus (HIV). Bevirimat acts by binding to the Gag capsid precursor protein and blocking its conversion to mature capsid protein by protease cleavage. It potently inhibits replication in both wild-type and drug-resistant (reverse transciptase or protease) HIV-1 isolates. A pentacyclic triterpenoid obtained by the formal condensation of 2,2-dimethylsuccinic acid with the 3-hydroxy group of betulinic acid. It is isolated from the Chinese herb Syzygium claviflorum. The first in the class of HIV-1 maturation inhibitors to be studied in humans, bevirimat was identified as a potent HIV drug candidate and several clinical trials were conducted, but development into a new drug was plagued by numerous resistance-related problems. C254 - Anti-Infective Agent > C281 - Antiviral Agent > C1660 - Anti-HIV Agent Bevirimat (PA-457; MPC-4326; YK FH312) is an anti-HIV agent derived from a betulinic acid-like compound; is believed to inhibit HIV by a novel mechanism, so-called maturation inhibition. Bevirimat (PA-457; MPC-4326; YK FH312) is an anti-HIV agent derived from a betulinic acid-like compound; is believed to inhibit HIV by a novel mechanism, so-called maturation inhibition.
[7-oxo-6-[[(E)-3,4,5-trihydroxy-2-methoxy-8-methyl-non-6-enoyl]amino]azepan-3-yl] tetradecanoate
3-benzoyl-2-methoxy-8,8-dimethyl-1,7-bis(3-methylbut-2-enyl)-5-[5-methyl-2-(1-methylvinyl)hexa-4-enyl]exo-bicyclo[3.3.1]non-2-ene-4,9-dione
(-)-cylindrocyclophane A|cylindrocyclophane A|cylindrocyclphane A
lup-1,5,20(29)-trien-3beta-O-beta-D-glucopyranoside
3,23-Acetone cyclic ketal,2-Ac,Me ester-2,3,23-(2alpha,3beta)-Trihydroxy-12-oleanen-28-oic acid
12alpha-acetoxypetuniasterone D 7-acetate|Petuniasteron-D-7alpha, 12alpha-diacetat
Tri-Ac-(3beta,21beta,22beta)-12-Oleanene-3,21,22-triol
24-O-beta-D-Xylopyranoside -Cholestane-3,6,8,15,24-pentol
3beta,25-Epoxy-3alpha,21alpha-dihydroxy-22beta-tigloyloxyolean-12-ene-28-oic acid
Di-Ac,Me ester-3beta-3,24-Dihydroxy-11-oxo-12-oleanen-30-oic acid
Ecdysterone 22-O-benzoate
Origin: Plant; SubCategory_DNP: The sterols, Cholestanes
3beta,25-Epoxy-3alpha,21alpha-dihydroxy-22beta-(3-methylbut-2-en-1-oyloxy)olean-12-ene-28-oic acid
(24S)-24-O-beta-D-xylofuranosyl-5alpha-cholestane-3beta,4beta,6alpha,15beta,24-pentol|certonardoside H4
7alpha,21beta-diacetoxy-21R?,23R?:24alpha,25-diepoxy-11alpha-hydroxy-4,4,8-trimethyl-cholesta-1,14-dien-3-one|brujavanone A
2alpha,3alpha-dipropionyltaraxer-14-en-28-oic acid
3alpha-acetoxymultiflora-5(6),7,9(11)-triene-29-benzoate
16,22alpha-diacetoxy-6-hydroxy-29-nor-24-methylcycloart-1, 24(24a)-dien-3,23-dion-3,4-lactone|22alpha-acetoxy-6-hydroxyneomacrolactone
(2R,5S,6S,8R,9R,10S,18R,19S)-18,19-diacetoxy-18,19-epoxy-2-[(2Z,4E)-decadienoyloxy]-6-hydroxycleroda-3,12(E),14-triene|argutin A
3-O-Acetyl-28-acetoxy-glycyrrhetinsaeure-methylester
12-deoxyphorbaldehyde-13-hexadecacetate|12-deoxyphorbaldehyde-13-hexadecanoate
rel-(1R,2R,3S,3R,4S,5R,5S,7S,10R,11S,13R)-lyngbouilloside
(2R,5S,7S,8S,9S,10S,18R,19S)-18,19-diacetoxy-18,19-epoxy-2-[(2Z,4E)-decadienoyloxy]-7-hydroxycleroda-3,12(E),14-triene|argutin E
27-O-(tert-Butyldimethylsilyl)withaferin A
27-O-(tert-Butyldimethylsilyl)withaferin A is a natural product found in Withania aristata with data available.
12b-O-[deca-2E,4Z-dienoyl]-13a-isobutyl-4b-phorbol
12b-O-[deca-2Z,4E-dienoyl]-13a-isobutyl-4b-phorbol
1,12-dihydroxy-1,6,12,17,23,28-hexazacyclotritriacontane-2,5,13,16,24,27-hexone
1,12-dihydroxy-1,6,12,17,23,28-hexazacyclotritriacontane-2,5,13,16,24,27-hexone [IIN-based on: CCMSLIB00000848996]
1,12-dihydroxy-1,6,12,17,23,28-hexazacyclotritriacontane-2,5,13,16,24,27-hexone [IIN-based: Match]
Phe Lys Lys Tyr
Phe Lys Tyr Lys
Phe Tyr Lys Lys
Lys Phe Lys Tyr
Lys Phe Tyr Lys
Lys Lys Phe Tyr
Lys Lys Tyr Phe
Lys Tyr Phe Lys
Lys Tyr Lys Phe
Tyr Phe Lys Lys
Tyr Lys Phe Lys
Tyr Lys Lys Phe
(9xi,17xi,22S)-2,3,14,20,25-pentahydroxy-6-oxocholest-7-en-22-yl benzoate
N1-(3,4-dihydroxybenzoyl)-N8,N8-citryl-bis(spermidine)
2-[[(4aR,6aS,6bR,9S,12aR)-10-hydroxy-9-(hydroxymethyl)-2,2,4a,6a,6b,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4-yl]oxy]-5-hydroxy-6-methyl-2,3-dihydropyran-4-one
12-Deoxyphorbaldehyde-13-hexadecanoate
A natural product found in Euphorbia fischeriana.
1-[[(3R,9S,10S)-16-(dimethylamino)-12-[(2R)-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]-3-(4-methoxyphenyl)-1-methylurea
1-[[(3R,9R,10R)-16-(dimethylamino)-12-[(2R)-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]-3-(4-methoxyphenyl)-1-methylurea
1-[[(3S,9S,10R)-16-(dimethylamino)-12-[(2R)-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]-3-(4-methoxyphenyl)-1-methylurea
1-[[(3R,9S,10R)-16-(dimethylamino)-12-[(2R)-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]-3-(4-methoxyphenyl)-1-methylurea
1-[[(3R,9R,10S)-16-(dimethylamino)-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]-3-(4-methoxyphenyl)-1-methylurea
1-[[(3S,9S,10S)-16-(dimethylamino)-12-[(2R)-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]-3-(4-methoxyphenyl)-1-methylurea
1-[[(3S,9R,10S)-16-(dimethylamino)-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]-3-(4-methoxyphenyl)-1-methylurea
1-[[(3R,9R,10S)-16-(dimethylamino)-12-[(2R)-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]-3-(4-methoxyphenyl)-1-methylurea
1-[[(3S,9R,10R)-16-(dimethylamino)-12-[(2R)-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]-3-(4-methoxyphenyl)-1-methylurea
1-[[(3S,9S,10S)-16-(dimethylamino)-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]-3-(4-methoxyphenyl)-1-methylurea
1-[[(3S,9R,10S)-16-(dimethylamino)-12-[(2R)-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]-3-(4-methoxyphenyl)-1-methylurea
1-[[(3R,9S,10S)-16-(dimethylamino)-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]-3-(4-methoxyphenyl)-1-methylurea
1-[[(3R,9R,10R)-16-(dimethylamino)-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]-3-(4-methoxyphenyl)-1-methylurea
1-[[(3R,9S,10R)-16-(dimethylamino)-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]-3-(4-methoxyphenyl)-1-methylurea
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-(5-hydroxypentanoyloxy)propyl] hexadecanoate
[(E)-3-hydroxy-2-[[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]amino]oct-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
[2-[[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]amino]-3-hydroxydecyl] 2-(trimethylazaniumyl)ethyl phosphate
[(E)-2-[[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoyl]amino]-3-hydroxydec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
[(4E,8E,12E)-2-[[(Z)-dodec-5-enoyl]amino]-3-hydroxytetradeca-4,8,12-trienyl] 2-(trimethylazaniumyl)ethyl phosphate
[1-butanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
[1-acetyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (11Z,14Z,17Z)-icosa-11,14,17-trienoate
[1-hexanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (7Z,10Z,13Z)-hexadeca-7,10,13-trienoate
[3-hydroxy-2-[[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]amino]octyl] 2-(trimethylazaniumyl)ethyl phosphate
(1-octanoyloxy-3-phosphonooxypropan-2-yl) (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate
(1-hexanoyloxy-3-phosphonooxypropan-2-yl) (10Z,13Z,16Z,19Z)-docosa-10,13,16,19-tetraenoate
(1-acetyloxy-3-phosphonooxypropan-2-yl) (14Z,17Z,20Z,23Z)-hexacosa-14,17,20,23-tetraenoate
(1-butanoyloxy-3-phosphonooxypropan-2-yl) (12Z,15Z,18Z,21Z)-tetracosa-12,15,18,21-tetraenoate
(1-dodecanoyloxy-3-phosphonooxypropan-2-yl) (4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoate
(1-decanoyloxy-3-phosphonooxypropan-2-yl) (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate
12b-O-[deca-2Z,4E-dienoyl]-13a-isobutyl-4b-phorbol
12b-O-[deca-2E,4Z-dienoyl]-13a-isobutyl-4b-phorbol
[1-[(6E,9E)-dodeca-6,9-dienoyl]oxy-3-phosphonooxypropan-2-yl] (4E,7E)-hexadeca-4,7-dienoate
[(2R)-1-decanoyloxy-3-phosphonooxypropan-2-yl] (9E,11E,13E,15E)-octadeca-9,11,13,15-tetraenoate
[(2R)-2-decanoyloxy-3-phosphonooxypropyl] (6E,9E,12E,15E)-octadeca-6,9,12,15-tetraenoate
[1-[(E)-dodec-5-enoyl]oxy-3-phosphonooxypropan-2-yl] (9E,11E,13E)-hexadeca-9,11,13-trienoate
[(2R)-1-decanoyloxy-3-phosphonooxypropan-2-yl] (6E,9E,12E,15E)-octadeca-6,9,12,15-tetraenoate
[(2R)-2-decanoyloxy-3-phosphonooxypropyl] (9E,11E,13E,15E)-octadeca-9,11,13,15-tetraenoate
(1-dodecanoyloxy-3-phosphonooxypropan-2-yl) (7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoate
2-[hydroxy-[3-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoxy]-2-pentanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
2-[hydroxy-[3-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]-2-propanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
2-[[3-acetyloxy-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[[3-butanoyloxy-2-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
1-(1Z-octadecenyl)-glycero-3-phospho-(1-myo-inositol)
BisMePA(26:4)
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1-(5-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-6-methylheptan-2-yl)-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthrene-3,5,6,7-tetrol
9a,11a-dimethyl-1-{6-methyl-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]heptan-2-yl}-tetradecahydrocyclopenta[a]phenanthrene-3,5,5a,7-tetrol
n-{5-[11,14-dihydroxy-10-(c-hydroxycarbonimidoyloxy)-4-methyl-20-oxo-1-oxacycloicosa-4,6,12,18-tetraen-2-yl]-3-methylhexa-1,3-dien-1-yl}-3-methylbut-2-enimidic acid
(2s,3r,6r)-2-[(2r,4s,5r,7s,8s,11s,12s,14s,15r,16r)-14-(acetyloxy)-5-hydroxy-7,12,16-trimethyl-6-oxopentacyclo[9.7.0.0²,⁴.0²,⁸.0¹²,¹⁶]octadec-1(18)-en-15-yl]-7-hydroxy-6-methyl-5-methylidene-4-oxoheptan-3-yl acetate
(11e,13e)-7,16-diethyl-4,6-dihydroxy-15-{[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxy]methyl}-5,9,13-trimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione
(1s,3r,5r,6as,7r,8r,10r,10as)-1,3-bis(acetyloxy)-10-hydroxy-7,8-dimethyl-7-[(2e)-3-methylpenta-2,4-dien-1-yl]-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl (4e)-deca-2,4-dienoate
8,19-bis(4-hydroxybutyl)-2,13-dimethyltricyclo[18.2.2.2⁹,¹²]hexacosa-1(22),9,11,20,23,25-hexaene-10,21,24,26-tetrol
1,6-dihydroxy-4,12,12,15-tetramethyl-8-{[(2-methylbut-2-enoyl)oxy]methyl}-5-oxotetracyclo[8.5.0.0²,⁶.0¹¹,¹³]pentadeca-3,8-dien-13-yl decanoate
1,3-bis(acetyloxy)-9-hydroxy-7,8-dimethyl-7-(3-methylpenta-2,4-dien-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl deca-2,4-dienoate
(1r,3r,5s,6ar,7r,8s,10s,10ar)-1,3-bis(acetyloxy)-10-hydroxy-7,8-dimethyl-7-(3-methylidenepent-4-en-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl (2z,4z)-deca-2,4-dienoate
1,5,12,16,24,27-hexahydroxy-1,6,12,17,23,28-hexaazacyclotritriaconta-5,16,23,27-tetraene-2,13-dione
(1r,2s,6r,10s,11r,13s,15r)-8-formyl-1,6-dihydroxy-4,12,12,15-tetramethyl-5-oxotetracyclo[8.5.0.0²,⁶.0¹¹,¹³]pentadeca-3,8-dien-13-yl hexadecanoate
(3s,5r)-3-[(1s,2r,3r,5r,6r,9s,14s,15r,18s,19s)-3-hydroxy-2,6,14-trimethyl-9-phenyl-8-oxahexacyclo[16.3.1.0¹,¹⁸.0²,¹⁵.0⁵,¹⁴.0⁶,¹¹]docosa-11,16-dien-19-yl]-5-[(1e)-3-hydroxy-2-methylprop-1-en-1-yl]oxolan-2-one
2-[(1z,2s,3as,3bs,5s,5as,6s,9ar,9bs,11ar)-5-(acetyloxy)-3a,3b,6,9a-tetramethyl-4,7-dioxo-2-(propanoyloxy)-decahydro-2h-cyclopenta[a]phenanthren-1-ylidene]-6-methylhept-5-enoic acid
(2r,3r,4s,5r,6e)-3,4,5-trihydroxy-n-[(6s)-2-hydroxy-6-(tetradecanoyloxy)-4,5,6,7-tetrahydro-3h-azepin-3-yl]-2-methoxy-8-methylnon-6-enimidic acid
(1r,2s,6r,10s,11r,13s,15r)-1,6-dihydroxy-4,12,12,15-tetramethyl-8-({[(2e)-2-methylbut-2-enoyl]oxy}methyl)-5-oxotetracyclo[8.5.0.0²,⁶.0¹¹,¹³]pentadeca-3,8-dien-13-yl decanoate
n-[(1e,3e,5r)-5-[(2r,4z,6e,10r,11r,12z,14r,18z)-11,14-dihydroxy-10-(c-hydroxycarbonimidoyloxy)-4-methyl-20-oxo-1-oxacycloicosa-4,6,12,18-tetraen-2-yl]-3-methylhexa-1,3-dien-1-yl]-3-methylbut-2-enimidic acid
10-hydroxy-4-o-methyl-2,11-diundecylgomphi-lactone
{"Ingredient_id": "HBIN000127","Ingredient_name": "10-hydroxy-4-o-methyl-2,11-diundecylgomphi-lactone","Alias": "NA","Ingredient_formula": "C35H52O7","Ingredient_Smile": "CCCCCCCCCCCC1=C(C(=C2C3=CC(=C(C(=C3OC2=O)CCCCCCCCCCC)O)OC)OC1=O)O","Ingredient_weight": "584.8 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10484","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "54716641","DrugBank_id": "NA"}
(2s)-1-stearoyl-3-o-(6-sulpho-α-d-quinovopyra-nosyl)-glycerol
{"Ingredient_id": "HBIN006571","Ingredient_name": "(2s)-1-stearoyl-3-o-(6-sulpho-\u03b1-d-quinovopyra-nosyl)-glycerol","Alias": "NA","Ingredient_formula": "C27H52O11S","Ingredient_Smile": "CCCCCCCCCCCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)CS(=O)(=O)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "20266","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}