Exact Mass: 643.3485154
Exact Mass Matches: 643.3485154
Found 165 metabolites which its exact mass value is equals to given mass value 643.3485154,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
S-(PGA1)-glutathione
C30H49N3O10S (643.3138494000001)
S-(PGA1)-glutathione is the gluthathione conjugate of prostaglanding A1. This conjugate is a substrate for MRP2 (31). PGA1 was observed to be able to inhibit. MRP2-mediated transport of DNP-SG quite well. S-(PGA1)-glutathione is the gluthathione conjugate of prostaglanding A1. This conjugate is a substrate for MRP2 (31). PGA1 was observed to be able to inhibit
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione
C30H49N3O10S (643.3138494000001)
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione is the glutathione conjugate of S-(11-OH-9-deoxy-delta9,12-PGD2) [HMDB] S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione is the glutathione conjugate of S-(11-OH-9-deoxy-delta9,12-PGD2).
S-(9-deoxy-delta12-PGD2)-glutathione
C30H49N3O10S (643.3138494000001)
S-(9-hydroxy-PGA1)-glutathione is the glutathione conjugate of S-(9-deoxy-delta12-PGD2) [HMDB] S-(9-hydroxy-PGA1)-glutathione is the glutathione conjugate of S-(9-deoxy-delta12-PGD2).
S-(9-hydroxy-PGA2)-glutathione
C30H49N3O10S (643.3138494000001)
S-(9-hydroxy-PGA2)-glutathione is the glutathione conjugate of S-(9-hydroxy-PGA2). Inside L1210 cells, PGA2 was initially conjugated to glutathione and then reduced at the 9-keto position to form 9-OH-PGA2-GSH. The 9-OH-PGA2-GSH was then secreted from the cells and apparently degraded to form the CysGly and Cys derivatives. Intracellular glutathione was decreased markedly by the addition of the PGA2 in L1210 and L929 cells. This result confirms that conjugation of PGA2 to glutathione occurs in both cell types. Formation of the 9-OH-PGA2-GSH and other glutathione-related conjugates was prevented when glutathione was depleted by growth in buthionine sulfoximine. The glutathione-depleted cells were insensitive to the cytotoxicity of the PGA2, suggesting that one of the glutathione-related conjugates may be involved in the cytotoxicity of PGA2. These results end the controversy over the metabolism of PGA2 and suggest mechanisms for its antiviral and antigrowth actions. S-(9-hydroxy-PGA2)-glutathione is the glutathione conjugate of S-(9-hydroxy-PGA2)
10,11-Dihydro-12R-hydroxy-leukotriene C4
C30H49N3O10S (643.3138494000001)
This compound belongs to the family of Leukotrienes. These are eicosanoids containing an hydroxyl group attached to the aliphati chain of an arachidonic acid.
Buprenorphine glucuronide
Buprenorphine glucuronide is a metabolite of buprenorphine. Buprenorphine is a semi-synthetic opioid that is used to treat opioid addiction in higher dosages (>2 mg), to control moderate acute pain in non-opioid-tolerant individuals in lower dosages, and to control moderate chronic pain in dosages ranging from 20–70 µg/hour. (Wikipedia)
11S,15S-dihydroxy-14R-(S-glutathionyl)-5Z,8Z,12E-eicosatrienoic acid
C30H49N3O10S (643.3138494000001)
11S,15S-dihydroxy-14R-(S-glutathionyl)-5Z,8Z,12E-eicosatrienoic acid is classified as a member of the Oligopeptides. Oligopeptides are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. 11S,15S-dihydroxy-14R-(S-glutathionyl)-5Z,8Z,12E-eicosatrienoic acid is considered to be practically insoluble (in water) and acidic. 11S,15S-dihydroxy-14R-(S-glutathionyl)-5Z,8Z,12E-eicosatrienoic acid is an eicosanoid lipid molecule
Buprenorphine 3-beta-D-Glucuronide
Crassicauline A
A diterpene alkaloid with formula C35H49NO10 that is isolated from several Aconitum species. Origin: Plant; SubCategory_DNP: Terpenoid alkaloids, Diterpene alkaloid, Aconitum alkaloid [8-Acetyloxy-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate is a natural product found in Aconitum episcopale with data available. Crassicauline A (Crassicaulin A) is a bioactive alkaloid found in roots of Aconitum carmichaeli. Crassicauline A (Crassicaulin A) possesses feeding deterrent activity against T. castaneum adults with an EC50 of 1134.5 ppm[1][2]. Crassicauline A (Crassicaulin A) is a bioactive alkaloid found in roots of Aconitum carmichaeli. Crassicauline A (Crassicaulin A) possesses feeding deterrent activity against T. castaneum adults with an EC50 of 1134.5 ppm[1][2].
2-N-Et,sulfate-Paromomycin,BAN,INN|2-N-Et-Paromomycin,BAN,INN
C25H49N5O14 (643.3275854000001)
(?)-(A-c)-8beta-acetoxy-14alpha-benzoyloxy-N-ethyl-13beta,15alpha-dihydroxy-1alpha,6alpha,16beta,18-tetramethoxy-19-oxo-aconitane
Ile Trp Tyr Tyr
Ile Tyr Trp Tyr
Ile Tyr Tyr Trp
Leu Trp Tyr Tyr
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Leu Tyr Tyr Trp
Pro Arg Trp Trp
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Pro Trp Trp Arg
Arg Pro Trp Trp
Arg Trp Pro Trp
Arg Trp Trp Pro
Trp Ile Tyr Tyr
Trp Leu Tyr Tyr
Trp Pro Arg Trp
Trp Pro Trp Arg
Trp Arg Pro Trp
Trp Arg Trp Pro
Trp Trp Pro Arg
Trp Trp Arg Pro
Trp Tyr Ile Tyr
Trp Tyr Leu Tyr
Trp Tyr Tyr Ile
Trp Tyr Tyr Leu
Tyr Ile Trp Tyr
Tyr Ile Tyr Trp
Tyr Leu Trp Tyr
Tyr Leu Tyr Trp
Tyr Trp Ile Tyr
Tyr Trp Leu Tyr
Tyr Trp Tyr Ile
Tyr Trp Tyr Leu
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Tyr Tyr Leu Trp
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Glycocholic acid 3-glucuronide
14,15-HxA3-C(11S)
C30H49N3O10S (643.3138494000001)
Cholest-5-en-3-ol (3b)-,3-[4-[bis(2-chloroethyl)amino]benzeneacetate]
11S,15S-Dihydroxy-14R-(S-glutathionyl)-5Z,8Z,12E-eicosatrienoate
C30H49N3O10S (643.3138494000001)
Arenamide B
C34H53N5O7 (643.3944787999999)
A 19-membered cyclodepsipeptide that is isolated from the fermentation broth of marine actinomycete Salinispora arenicola; it has been found to block tumour necrosis factor (TNF)-induced activation of NFkappaB-Luc human embryonic kidney cells.
10,11-Dihydro-12R-hydroxy-leukotriene C4
C30H49N3O10S (643.3138494000001)
[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] [(6Z,10E,14E)-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraenyl] hydrogen phosphate
N-(2-aminophenyl)-N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(phenylmethyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide
C37H49N5O5 (643.3733503999999)
N-[(3R,9R,10R)-9-[[cyclohexylmethyl(methyl)amino]methyl]-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-16-yl]benzenesulfonamide
2-amino-3-[[2-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]oxy-3-undecoxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
2-amino-3-[[3-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoxy]-2-undecanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
2-amino-3-[[3-butanoyloxy-2-[(10Z,13Z,16Z,19Z)-docosa-10,13,16,19-tetraenoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
2-amino-3-[[3-hexanoyloxy-2-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
2-amino-3-[hydroxy-[2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxy-3-octanoyloxypropoxy]phosphoryl]oxypropanoic acid
2-amino-3-[[3-decanoyloxy-2-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
3-[[3-acetyloxy-2-[(12Z,15Z,18Z,21Z)-tetracosa-12,15,18,21-tetraenoyl]oxypropoxy]-hydroxyphosphoryl]oxy-2-aminopropanoic acid
(2S)-2-amino-3-[[3-[(E)-dec-4-enoyl]oxy-2-[(9E,11E,13E)-hexadeca-9,11,13-trienoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
(2S)-2-amino-3-[[3-[(4E,7E)-deca-4,7-dienoyl]oxy-2-[(4E,7E)-hexadeca-4,7-dienoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
(2S)-2-amino-3-[[3-decanoyloxy-2-[(7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione
C30H49N3O10S (643.3138494000001)
11(S),15(S)-dihydroxy-14(R)-(S-glutathionyl)-5(Z),8(Z),12(E)-icosatrienoic acid
C30H49N3O10S (643.3138494000001)
A glutathione conjugate in which the thiol hydrogen of glutathione has been replaced by a (6S,7R,8E,10S,12Z,15Z)-19-carboxy-6,10-dihydroxynonadeca-8,12,15-trien-7-yl group.
8-(acetyloxy)-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl 4-methoxybenzoate
(3s,6s,9r,12s,19s)-3-benzyl-19-(hexan-2-yl)-5,8,11,14,17-pentahydroxy-12-isopropyl-6-methyl-9-(2-methylpropyl)-1-oxa-4,7,10,13,16-pentaazacyclononadeca-4,7,10,13,16-pentaen-2-one
C34H53N5O7 (643.3944787999999)
4-methylaconitane-1,3,6,8,14,16,18-heptol; (1α,3α,6α,14α,16β)-form,o1,o6,o16,o18-tetra-me,n-et,14-(4-methoxybenzoyl),8-ac
{"Ingredient_id": "HBIN010676","Ingredient_name": "4-methylaconitane-1,3,6,8,14,16,18-heptol; (1\u03b1,3\u03b1,6\u03b1,14\u03b1,16\u03b2)-form,o1,o6,o16,o18-tetra-me,n-et,14-(4-methoxybenzoyl),8-ac","Alias": "NA","Ingredient_formula": "C35H49NO10","Ingredient_Smile": "NA","Ingredient_weight": "643.76","OB_score": "NA","CAS_id": "1361-96-2","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7784","PubChem_id": "NA","DrugBank_id": "NA"}
16-(3-chloro-2-hydroxypropyl)-1,10-dihydroxy-6-isopropyl-5,8,9,21-tetramethyl-3-(sec-butyl)-3h,6h,9h,12h,13h,16h,19h,20h,21h,21ah-pyrrolo[1,2-d]1-oxa-4,7,10,13,16-pentaazacyclononadecane-4,7,14,17-tetrone
(1r,2r,3r,4s,5s,6s,8r,9s,10s,13r,16s,17s,18s)-8-(acetyloxy)-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl 4-methoxybenzoate
14-ethyl-5,17-dihydroxy-6,19,21-trimethoxy-16-(methoxymethyl)-9,9-dimethyl-8,10-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,¹¹.0⁷,¹¹.0¹⁶,²⁰]docosan-4-yl benzoate
(2s,5s,8s,11s,14r,15r)-4,17-dihydroxy-8-[(4-hydroxyphenyl)methyl]-5-isopropyl-2,6,9,11,14-pentamethyl-15-propyl-12-oxa-20-thia-3,6,9,16,21-pentaazabicyclo[16.2.1]henicosa-1(21),3,16,18-tetraene-7,10,13-trione
(1s,2s,6s,9s,11r,12r,13s,14s,15s,18s,19s,22s,23s,25r)-10,12,13,14,23-pentahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁵.0¹⁸,²³.0¹⁹,²⁵]hexacosan-22-yl 4-hydroxy-3-methoxybenzoate
(2r,3r,5s,6s,8r,13s,17r)-8-(acetyloxy)-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl 4-methoxybenzoate
(3s,6s,9r,12s,19s)-3-benzyl-19-[(2s)-hexan-2-yl]-5,8,11,14,17-pentahydroxy-12-isopropyl-6-methyl-9-(2-methylpropyl)-1-oxa-4,7,10,13,16-pentaazacyclononadeca-4,7,10,13,16-pentaen-2-one
C34H53N5O7 (643.3944787999999)
(1s,2r,3r,4r,5s,6s,8r,9r,13s,16s,17r,18r)-8-(acetyloxy)-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl 4-methoxybenzoate
10,12,13,14,23-pentahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁵.0¹⁸,²³.0¹⁹,²⁵]hexacosan-22-yl 4-hydroxy-3-methoxybenzoate
(1s,2r,6s,9s,10s,11r,12r,13s,14s,15s,18s,19s,22s,23s,25r)-10,12,13,14,23-pentahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁵.0¹⁸,²³.0¹⁹,²⁵]hexacosan-22-yl 4-hydroxy-3-methoxybenzoate
3-benzyl-19-(hexan-2-yl)-5,8,11,14,17-pentahydroxy-12-isopropyl-6-methyl-9-(2-methylpropyl)-1-oxa-4,7,10,13,16-pentaazacyclononadeca-4,7,10,13,16-pentaen-2-one
C34H53N5O7 (643.3944787999999)
(1s,2r,3r,4r,5r,6s,7s,11r,12r,13r,16r,17r,19s,20s,21r)-14-ethyl-5,17-dihydroxy-6,19,21-trimethoxy-16-(methoxymethyl)-9,9-dimethyl-8,10-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,¹¹.0⁷,¹¹.0¹⁶,²⁰]docosan-4-yl benzoate
(2s,5s,11s,14r,15r)-4,17-dihydroxy-8-[(4-hydroxyphenyl)methyl]-5-isopropyl-2,6,9,11,14-pentamethyl-15-propyl-12-oxa-20-thia-3,6,9,16,21-pentaazabicyclo[16.2.1]henicosa-1(21),3,16,18-tetraene-7,10,13-trione
(3s,6s,9s,12s,19s)-3-benzyl-19-[(2s)-hexan-2-yl]-5,8,11,14,17-pentahydroxy-12-isopropyl-6-methyl-9-(2-methylpropyl)-1-oxa-4,7,10,13,16-pentaazacyclononadeca-4,7,10,13,16-pentaen-2-one
C34H53N5O7 (643.3944787999999)