Exact Mass: 428.3290274
Exact Mass Matches: 428.3290274
Found 500 metabolites which its exact mass value is equals to given mass value 428.3290274,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Nandrolone decanoate
Nandrolone decanoate is only found in individuals that have used or taken this drug. It is a C18 steroid with androgenic and anabolic properties. It is generally prepared from alkyl ethers of estradiol to resemble testosterone but less one carbon at the 19 position. It is a schedule III drug in the U.S. Nandrolone is an androgen receptor agonist. The drug bound to the receptor complexes which allows it to enter the nucleus and bind directly to specific nucleotide sequences of the chromosomal DNA. The areas of binding are called hormone response elements (HREs), and influence transcriptional activity of certain genes, producing the androgen effects. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D045930 - Anabolic Agents C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone D050071 - Bone Density Conservation Agents
(3S,4S,5S,10S,13R,14R,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-4-carboxylic acid
Sorbitan oleate
Sorbitan oleate is an emulsifier and clarification agent in food preparations (sugar liquor or juice Emulsifier and clarification agent in food preparations (sugar liquor or juice) D013501 - Surface-Active Agents
Ergosterol peroxide
Ergosterol peroxide is found in fruits. Ergosterol peroxide is obtained from leaves of Ananas comosus (pineapple obtained from leaves of Ananas comosus (pineapple). Ergosterol peroxide is found in pineapple and fruits.
(3beta,5alpha,6alpha,22E,24R)-Ergosta-7,9(11),22-triene-3,5,6-triol
(3beta,5alpha,6beta,22E,24R)-Ergosta-7,9(11),22-triene-3,5,6-triol is found in mushrooms. (3beta,5alpha,6beta,22E,24R)-Ergosta-7,9(11),22-triene-3,5,6-triol is a constituent of Grifola frondosa (maitake) Constituent of Grifola frondosa (maitake). (3beta,5alpha,6beta,22E,24R)-Ergosta-7,9(11),22-triene-3,5,6-triol is found in mushrooms.
3,5-Dihydroxyergosta-7,22-dien-6-one
3,5-Dihydroxyergosta-7,22-dien-6-one is found in mushrooms. 3,5-Dihydroxyergosta-7,22-dien-6-one is a constituent of Grifola frondosa (maitake) Constituent of Grifola frondosa (maitake). 3,5-Dihydroxyergosta-7,22-dien-6-one is found in mushrooms.
(3beta,8x,9x,15x,24x)-8,9-Epoxyergosta-5,22-diene-3,15-diol
(3beta,8x,9x,15x,24x)-8,9-Epoxyergosta-5,22-diene-3,15-diol is found in mushrooms. (3beta,8x,9x,15x,24x)-8,9-Epoxyergosta-5,22-diene-3,15-diol is a constituent of Ganoderma lucidum (reishi).
5,6-Epoxiergosta-8,22-diene-3,7-diol
5,6-Epoxiergosta-8,22-diene-3,7-diol is found in mushrooms. 5,6-Epoxiergosta-8,22-diene-3,7-diol is a constituent of Tricholoma portentosum Constituent of Tricholoma portentosum. 5,6-Epoxiergosta-8,22-diene-3,7-diol is found in mushrooms.
(3beta,5alpha,6alpha,7beta,22E,24R)-5,6-Epoxyergosta-8(14),22-diene-3,7-diol
(3beta,5alpha,6alpha,7beta,22E,24R)-5,6-Epoxyergosta-8(14),22-diene-3,7-diol is found in mushrooms. (3beta,5alpha,6alpha,7beta,22E,24R)-5,6-Epoxyergosta-8(14),22-diene-3,7-diol is a constituent of Grifola frondosa (maitake). Constituent of Grifola frondosa (maitake). (3beta,5alpha,6alpha,7beta,22E,24R)-5,6-Epoxyergosta-8(14),22-diene-3,7-diol is found in mushrooms.
4α-carboxy-5α-cholesta-8,24-dien-3β-ol
4α-carboxy-5α-cholesta-8,24-dien-3β-ol is considered to be practically insoluble (in water) and acidic. 4α-carboxy-5α-cholesta-8,24-dien-3β-ol is a sterol lipid molecule
Ercalcitriol
Ercalcitriol is the active circulating metabolite of vitamin D2. Vitamin D2 is modified by 25-hydroxylase in the liver and 25-hydroxyvitamin D *-hydroxylase in the kidney to form the active metabolite, ercalcitriol, which is then metabolized by 25-hydroxyvitamin D-24-hydroxylase (24-OHase, CYP24A1, EC 1.14.13.13). The binding of ercalcitriol or their analogs to Vitamin D receptor (VDR), a nuclear receptor, activates VDR to interact with retinoid X receptor (RXR) and forms the VDR/RXR/cofactor complex, which binds to Vitamin D response elements in the promoter region of target genes to regulate gene transcription. The kidney is the major site of 25-hydroxyvitamin D*-hydroxylase (CYP27B1, EC 1.14.13.13), which is responsible for the activation of 25-hydroxyvitamin D. Of all the steroid hormones, ercalcitriol represents the most difficult challenge to the analytical biochemist with respect to quantization. Ercalcitriol circulates at pmol concentrations, is highly lipophilic and its precursor, 25-hydroxyvitamin D2, circulates at nmol levels. (PMID: 16242929, 17867378, 17197173) [HMDB] Ercalcitriol is the active circulating metabolite of vitamin D2. Vitamin D2 is modified by 25-hydroxylase in the liver and 25-hydroxyvitamin D *-hydroxylase in the kidney to form the active metabolite, ercalcitriol, which is then metabolized by 25-hydroxyvitamin D-24-hydroxylase (24-OHase, CYP24A1, EC 1.14.13.13). The binding of ercalcitriol or their analogs to Vitamin D receptor (VDR), a nuclear receptor, activates VDR to interact with retinoid X receptor (RXR) and forms the VDR/RXR/cofactor complex, which binds to Vitamin D response elements in the promoter region of target genes to regulate gene transcription. The kidney is the major site of 25-hydroxyvitamin D*-hydroxylase (CYP27B1, EC 1.14.13.13), which is responsible for the activation of 25-hydroxyvitamin D. Of all the steroid hormones, ercalcitriol represents the most difficult challenge to the analytical biochemist with respect to quantization. Ercalcitriol circulates at pmol concentrations, is highly lipophilic and its precursor, 25-hydroxyvitamin D2, circulates at nmol levels. (PMID: 16242929, 17867378, 17197173). D018977 - Micronutrients > D014815 - Vitamins > D004872 - Ergocalciferols
Glyceryl lactooleate
Glyceryl lactooleate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") It is used as a food additive .
3-(Acetyloxy)-2-hydroxypropyl icosanoate
3-(Acetyloxy)-2-hydroxypropyl icosanoate belongs to the family of Alk(en)ylacylglycerols. These are Diradyclycerols characterized by one alk(en)yl chain and an acyl chain bound to a glycerol backbone.
DG(8:0/14:0/0:0)
DG(8:0/14:0/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(8:0/14:0/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(8:0/0:0/14:0)
DG(8:0/0:0/14:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. It is involved in the phospholipid metabolic pathway.
DG(8:0/i-14:0/0:0)
DG(8:0/i-14:0/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(8:0/i-14:0/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(8:0/0:0/i-14:0)
DG(8:0/0:0/i-14:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. It is involved in the phospholipid metabolic pathway.
DG(10:0/12:0/0:0)
DG(10:0/12:0/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(10:0/12:0/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(10:0/0:0/12:0)
DG(10:0/0:0/12:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. It is involved in the phospholipid metabolic pathway.
DG(10:0/i-12:0/0:0)
DG(10:0/i-12:0/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(10:0/i-12:0/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(10:0/0:0/i-12:0)
DG(10:0/0:0/i-12:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. It is involved in the phospholipid metabolic pathway.
DG(12:0/10:0/0:0)
DG(12:0/10:0/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(12:0/10:0/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(12:0/0:0/10:0)
DG(12:0/0:0/10:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. It is involved in the phospholipid metabolic pathway.
DG(i-12:0/10:0/0:0)
DG(i-12:0/10:0/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(i-12:0/10:0/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(i-12:0/0:0/10:0)
DG(i-12:0/0:0/10:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. It is involved in the phospholipid metabolic pathway.
DG(14:0/8:0/0:0)
DG(14:0/8:0/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(14:0/8:0/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(14:0/0:0/8:0)
DG(14:0/0:0/8:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. It is involved in the phospholipid metabolic pathway.
DG(i-14:0/8:0/0:0)
DG(i-14:0/8:0/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(i-14:0/8:0/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(i-14:0/0:0/8:0)
DG(i-14:0/0:0/8:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. It is involved in the phospholipid metabolic pathway.
Kerdlan
Kerdlan belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids. Kerdlan is considered to be a practically insoluble (in water) and relatively neutral molecule.
(1R)-5-[2-[(1R,7Ar)-1-[(2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
(24R)-24,25-Dihydroxyvitamin D2/(24R)-24,25-dihydroxyergocalciferol
1-Keto-24-methylcalcifediol
1,24(S)-Dihydroxyvitamin D2
Triheptanoin
A - Alimentary tract and metabolism > A16 - Other alimentary tract and metabolism products > A16A - Other alimentary tract and metabolism products > A16AX - Various alimentary tract and metabolism products
Fluvirucin A1
A lactam that is 4-hydroxyazacyclotetradecan-2-one substituted by an ethyl group at position 11, methyl groups at position 3 and 7 and a 3-amino-3,6-dideoxy-alpha-L-talopyranosyl moiety at position 4 via a glycosyl linkage (the 3R,4S,7R,11S stereoisomer). It is isolated from the fermentation broth of an unidentified actinomycete species and exhibits potent inhibitory activity against influenza A virus. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
Triheptanoin
A - Alimentary tract and metabolism > A16 - Other alimentary tract and metabolism products > A16A - Other alimentary tract and metabolism products > A16AX - Various alimentary tract and metabolism products
(3beta,5alpha,8alpha)-5,8-Epidioxy-23,24-didemethylgorgost-6-en-3-ol|5alpha,8alpha-epidioxy-23,24-didemethylgorgost-6-en-3beta-ol|5alpha,8alpha-epidioxy-23,24-didemethylgorgost-6-ene-3beta-ol
6-desmethyl-N-methylfluvirucin A1
A lactam that is 4-hydroxyazacyclotetradecan-2-one substituted by an ethyl group at position 11, a methyl group at position 3 and a 3,6-dideoxy-3-(methylamino)-alpha-L-talopyranosyl moiety at position 4 via a glycosyl linkage (the 3R,4S,11S stereoisomer). It is isolated from the fermentation broth of Nonomuraea turkmeniaca MA7364 and exhibits anthelminthic activity. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
(3beta,5alpha,8alpha)-5,8-epidioxyergost-6,24(28)-dien-3-ol|5,8-epidioxy-24-methylcholesta-6,24(28)-dien-3beta-ol|5,8alpha-epidioxy-5alpha-ergosta-6,24(28)-dien-3beta-ol|5alpha,8alpha-Epidioxy-24-methylcholesta-6,24(28)-dien-3beta-ol
(20S)-3beta,20-dihydroxyergosta-5,24(28)-dien-16-one
(3S,5Z,7E,22E)-9,10-Secoergosta-5,7,10(19),22-tetraene-3,25,26-triol
(5beta,7beta,20xi,22E)-11,20-Dihydroxy-23-methylcholesta-1,22-dien-7-one
24-methyl-7-oxocholesta-5,24(28)-diene-3beta,19-diol|24-Methyl-7-oxocholesta-5,24(28)-diene-3??,19-diol|24-methylcholesta-5,24(28)-diene-3beta,19-diol-7-one
3beta-Acetamido-18-methoxy-20-N-acetylconan-5-en
C26H40N2O3 (428.30387700000006)
24,28-Dihydro-5,8-Epidioxyergosta-6,9(11),24(28)-trien-3-ol
3beta,11alpha-dihydroxyergosta-8,24(28)-dien-7-one
An ergostanoid that is (5alpha)-ergosta-8,24(28)-diene substituted by hydroxy groups a positions 3 and 11 and an oxo group at position 7 (the 3beta,11alpha stereoisomer). It has been isolated from Aspergillus ochraceus.
24-methylenecholesta-52,2E-dien-1alpha,3beta,7beta-triol|sinugrandisterol B
5,8-epidioxy-5alpha,8alpha-ergosta-9(11),22t-dien-3beta-ol|5alpha,8alpha-epidioxyergosta-6,9(11),22-dien-3beta-ol
2-(3-acetoxy-4,4,14-trimethylandrost-8-en-17-yl)propanoic acid
(3beta)-3,20-dihydroxyergosta-5,24(28)-dien-7-one|(3S,8S,9S,10R,13S,14S,17S)-1,2,3,4,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3-hydroxy-17-[(2S)-2-hydroxy-6-methyl-5-methylideneheptan-2-yl]-10,13-dimethyl-7H-cyclopenta[a]phenanthren-7-one
cholest-1-en-3-on-20(R)-oic acid methyl ester|methyl spongoate
24-methylcholesta-7,24(28)-diene-3beta,5alpha-diol-6-one
(3S,5Z,7E,22E,24xi)-9,10-Secoergosta-5,7,10(19),22-tetraene-1,3,24,25,28-triol
12alpha-acetoxy-20,24-dimethyl-25-norscalar-16-en-24-one
Ergosterol_peroxide
Ergosterol peroxide is an ergostanoid that is ergosta-6,22-dien-3-ol with a peroxy group between positions 5 and 8 (the 3beta,5alpha,8alpha,22E stereoisomer). Isolated from Ganoderma lucidum and Cordyceps sinensis, it exhibits antimycobacterial, trypanocidal and antineoplastic activities. It has a role as a metabolite, an antineoplastic agent, an antimycobacterial drug and a trypanocidal drug. It is an organic peroxide, an ergostanoid, a 3beta-sterol and a member of phytosterols. It is functionally related to an ergosterol. Ergosterol peroxide is a natural product found in Benincasa hispida, Rhizoplaca melanophthalma, and other organisms with data available. An ergostanoid that is ergosta-6,22-dien-3-ol with a peroxy group between positions 5 and 8 (the 3beta,5alpha,8alpha,22E stereoisomer). Isolated from Ganoderma lucidum and Cordyceps sinensis, it exhibits antimycobacterial, trypanocidal and antineoplastic activities.
Sorbitane Monooleate - Polysorbate 80 in-source fragment
(1S,2R,5R,6R,10R,13S,15S)-5-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0¹,⁹.0²,⁶.0¹⁰,¹⁵]nonadec-18-en-13-ol
(1S,2R,5R,6R,10R,13S,15S)-5-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0¹,⁹.0²,⁶.0¹⁰,¹⁵]nonadec-18-en-13-ol_major
(1S,2R,5R,6R,10R,13S,15S)-5-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0¹,⁹.0²,⁶.0¹⁰,¹⁵]nonadec-18-en-13-ol_68.2\\%
(1S,2R,5R,6R,10R,13S,15S)-5-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0¹,?.0²,?.0¹?,¹?]nonadec-18-en-13-ol
Ala Ile Ile Ile
C21H40N4O5 (428.29985500000004)
Ala Ile Ile Leu
C21H40N4O5 (428.29985500000004)
Ala Ile Leu Ile
C21H40N4O5 (428.29985500000004)
Ala Ile Leu Leu
C21H40N4O5 (428.29985500000004)
Ala Leu Ile Ile
C21H40N4O5 (428.29985500000004)
Ala Leu Ile Leu
C21H40N4O5 (428.29985500000004)
Ala Leu Leu Ile
C21H40N4O5 (428.29985500000004)
Ala Leu Leu Leu
C21H40N4O5 (428.29985500000004)
Ile Ala Ile Ile
C21H40N4O5 (428.29985500000004)
Ile Ala Ile Leu
C21H40N4O5 (428.29985500000004)
Ile Ala Leu Ile
C21H40N4O5 (428.29985500000004)
Ile Ala Leu Leu
C21H40N4O5 (428.29985500000004)
Ile Ile Ala Ile
C21H40N4O5 (428.29985500000004)
Ile Ile Ala Leu
C21H40N4O5 (428.29985500000004)
Ile Ile Ile Ala
C21H40N4O5 (428.29985500000004)
Ile Ile Leu Ala
C21H40N4O5 (428.29985500000004)
Ile Leu Ala Ile
C21H40N4O5 (428.29985500000004)
Ile Leu Ala Leu
C21H40N4O5 (428.29985500000004)
Ile Leu Ile Ala
C21H40N4O5 (428.29985500000004)
Ile Leu Leu Ala
C21H40N4O5 (428.29985500000004)
Ile Val Val Val
C21H40N4O5 (428.29985500000004)
Leu Ala Ile Ile
C21H40N4O5 (428.29985500000004)
Leu Ala Ile Leu
C21H40N4O5 (428.29985500000004)
Leu Ala Leu Ile
C21H40N4O5 (428.29985500000004)
Leu Ala Leu Leu
C21H40N4O5 (428.29985500000004)
Leu Ile Ala Ile
C21H40N4O5 (428.29985500000004)
Leu Ile Ala Leu
C21H40N4O5 (428.29985500000004)
Leu Ile Ile Ala
C21H40N4O5 (428.29985500000004)
Leu Ile Leu Ala
C21H40N4O5 (428.29985500000004)
Leu Leu Ala Ile
C21H40N4O5 (428.29985500000004)
Leu Leu Ala Leu
C21H40N4O5 (428.29985500000004)
Leu Leu Ile Ala
C21H40N4O5 (428.29985500000004)
Leu Leu Leu Ala
C21H40N4O5 (428.29985500000004)
Leu Val Val Val
C21H40N4O5 (428.29985500000004)
Val Ile Val Val
C21H40N4O5 (428.29985500000004)
Val Leu Val Val
C21H40N4O5 (428.29985500000004)
Val Val Ile Val
C21H40N4O5 (428.29985500000004)
Val Val Leu Val
C21H40N4O5 (428.29985500000004)
Val Val Val Ile
C21H40N4O5 (428.29985500000004)
Val Val Val Leu
C21H40N4O5 (428.29985500000004)
(22Z)-1α,25-dihydroxy-20-epivitamin D2 / (22Z)-1α,25-dihydroxy-20-epiergocalciferol
(7E,22E)-(3S,6R)-6,19-epidioxy-9,10-seco-5(10),7,22-ergostatrien-3-ol
(7E,22E)-(3S,6S)-6,19-epidioxy-9,10-seco-5(10),7,22-ergostatrien-3-ol
Ercalcitriol
D018977 - Micronutrients > D014815 - Vitamins > D004872 - Ergocalciferols
1α,25-dihydroxy-24-epivitamin D2 / 1α,25-dihydroxy-24-epiergocalciferol
5(E)-1α,25-dihydroxyvitamin D2 / 5(E)-1α,25-dihydroxyergocalciferol
5(E)-1α,25-dihydroxy-24-epivitamin D2 / 5(E)-1α,25-dihydroxy-24-epiergocalciferol
1β,25-dihydroxyvitamin D2 / 1β,25-dihydroxyergocalciferol
1β,25-dihydroxy-24-epivitamin D2 / 1β,25-dihydroxy-24-epiergocalciferol
5(E)-1β,25-dihydroxyvitamin D2 / 1β,25-dihydroxyergocalciferol
5(E)-1β,25-dihydroxy-24-epivitamin D2 / 5(E)-1β,25-dihydroxy-24-epiergocalciferol
24,25-dihydroxy-24-epivitamin D_2 / 24,25-dihydroxy-24-epiergocalciferol
(24R)-24,26-dihydroxyvitamin D2 / (24R)-24,26-dihydroxyergocalciferol
(24S)-1α,24-dihydroxyvitamin D2 / (24S)-1α,24-dihydroxyergocalciferol
(5Z,7E,22E)-(1S,3R)-26-methyl-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,25-triol
1α,25-dihydroxy-18-methylidenevitamin D3 / 1α,25-dihydroxy-18-methylidenecholecalciferol
(5Z,7E,22E)-(1S,3R)-24a-homo-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,25-triol
(5Z,7E,22E)-(1S,3R,25R)-26-methyl-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,25-triol
(5Z,7E,22E)-(1S,3R,25S)-26-methyl-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,25-triol
(5Z,7E)-(1S,3S)-1-hydroxymethyl-9,10-seco-5,7,10(19),16-cholestatetraene-3,25-diol
(5Z,7E)-(1R,3R)-1-hydroxymethyl-9,10-seco-5,7,10(19),16-cholestatetraene-3,25-diol
Carcinomedin
D018977 - Micronutrients > D014815 - Vitamins > D004100 - Dihydroxycholecalciferols D018977 - Micronutrients > D014815 - Vitamins > D006887 - Hydroxycholecalciferols
Arlacel
D013501 - Surface-Active Agents
3,5-Dihydroxyergosta-7,22-dien-6-one
(3beta,5alpha,6alpha,22E,24R)-Ergosta-7,9(11),22-triene-3,5,6-triol
(3beta,5alpha,6alpha,7beta,22E,24R)-5,6-Epoxyergosta-8(14),22-diene-3,7-diol
5,6-Epoxiergosta-8,22-diene-3,7-diol
Peroxyergosterol
(3beta,8x,9x,15x,24x)-8,9-Epoxyergosta-5,22-diene-3,15-diol
Sorbitan oleate
D013501 - Surface-Active Agents
ascr#31
An (omega-1)-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (2E,17R)-17-hydroxyoctadec-2-enoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans.
oscr#31
An omega-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (2E)-18-hydroxyoctadec-2-enoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans.
1alpha,25-dihydroxy-20-epivitamin D2
(22Z)-1alpha,25-dihydroxy-20-epivitamin D2
(6R)-6,19-epidioxy-6,19-dihydrovitamin D2
(6S)-6,19-epidioxy-6,19-dihydrovitamin D2
(7E,22E)-(3S,6R)-6-hydroperoxy-9,10-seco-4,7,10(19),22-ergostatetraen-3-ol
(7E,22E)-(3S,6S)-6-hydroperoxy-9,10-seco-4,7,10(19),22-ergostatetraen-3-ol
1alpha,25-dihydroxyvitamin D2
A hydroxycalciol that is vitamin D2 bearing additional hydroxy substituents at positions 1alpha and 25.
1alpha,25-dihydroxy-24-epivitamin D2 / 1alpha,25-dihydroxy-24-epiergocalciferol
5(E)-1alpha,25-dihydroxyvitamin D2 / 5(E)-1alpha,25-dihydroxyergocalciferol
5(E)-1alpha,25-dihydroxy-24-epivitamin D2
1beta,25-dihydroxyvitamin D2 / 1beta,25-dihydroxyergocalciferol
1beta,25-dihydroxy-24-epivitamin D2
5(E)-1beta,25-dihydroxyvitamin D2 / 1beta,25-dihydroxyergocalciferol
5(E)-1beta,25-dihydroxy-24-epivitamin D2
(24R)-24,25-dihydroxyvitamin D2
24,25-dihydroxy-24-epivitamin D2
(24S)-1alpha,24-dihydroxyvitamin D2 / (24S)-1alpha,24-dihydroxyergocalciferol
1alpha,25-dihydroxy-18-methylidenevitamin D3 / 1alpha,25-dihydroxy-18-methylidenecholecalciferol
25-hydroxy-1alpha-hydroxymethyl-16,17-didehydrovitamin D3 / 25-hydroxy-1alpha-hydroxymethyl-16,17-didehydrocholecalciferol
1,3-Di(1-adamantyl)imidazolinium Tetrafluoroborate
C23H37BF4N2 (428.29857599999997)
OBAA
OBAA is a potent phospholipase A2 (PLA2) inhibitor with an IC50 of 70 nM. OBAA blocks Melittin-induced Ca2+ influx in Trypanosoma brucei with an IC50 of 0.4 μM[1][2][3].
di(propan-2-yloxy)alumanyl octadecanoate
C24H49AlO4 (428.34460640000003)
2,6-Bis[(2,2,6,6-tetramethyl-1-piperidinyl)Methyl]phenylboronic Acid (contains varying amounts of Anhydride)
C26H45BN2O2 (428.35738999999995)
N-(2-hydroxyethyl)-N-[2-[(1-oxooctadecyl)amino]ethyl]glycine
1alpha,24S-Dihydroxyvitamin D2
D018977 - Micronutrients > D014815 - Vitamins > D004872 - Ergocalciferols
1,24-Dihydroxyvitamin D2
D018977 - Micronutrients > D014815 - Vitamins > D004872 - Ergocalciferols
CID 71307325
(2E)-18-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]octadec-2-enoic acid
(22E,24R)-ergosta-5alpha,6alpha-epoxide-8,22-diene-3beta,7alpha-diol
An ergostanoid that is (22E)-ergosta-7,22-diene substituted by hydroxy groups at positions 3 and 7 and an epoxy group across positions 5 and 6 (the 3beta,5alpha,6alpha,7alpha stereoisomer). It has been isolated from Aspergillus ochraceus as well as Penicillium commune.
(2E,17R)-17-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]octadec-2-enoic acid
Alternapyrone
A member of the class of 2-pyranones that is 2H-pyran-2-one in which the hydrogens at positions 3, 4, 5 and 6 are replaced by methyl, hydroxy, methyl and (4E,6E,12E)-4,6,8,12,14-pentamethylhexadeca-4,6,12-trien-2-yl groups, respectively. It is a decaketide that is anabolized by a type I polyketide synthase in Alternaria solani.
Ergosta-6,22-dien-3-ol, 5,8-epidioxy-, (3beta,5alpha,8alpha,22E)-
3-hydroxy-10,13-dimethyl-17-(6-methylhept-5-en-2-yl)-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-4-carboxylic acid
(22E,24S)-5alpha,8alpha-epidioxy-24-methylcholesta-6,22-dien-3beta-ol
A natural product found in Melia toosendan.
1alpha,25-dihydroxy-20-epivitamin D2/1alpha,25-dihydroxy-20-epiergocalciferol
(3S,4S,5S,9R,10S,13R,14R,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-4-carboxylic acid
(3Z)-5-hydroxy-3-[(2E)-2-[1-(6-hydroxy-5,6-dimethylheptan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexan-1-one
D018977 - Micronutrients > D014815 - Vitamins > D004100 - Dihydroxycholecalciferols D018977 - Micronutrients > D014815 - Vitamins > D006887 - Hydroxycholecalciferols
(1R)-5-[2-[(1R,7Ar)-1-[(2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
Methyl Spongoate
A steroid ester that is methyl (5alpha)-cholest-1-en-21-oate substituted by an oxo group at position 3. Isolated from Hainan soft coral Dendronephthya studeri, it exhibits antitumour activity.
O-hexadecanedioyl-L-carnitine(1-)
C23H42NO6- (428.30119720000005)
A dicarboxylic acid monoanion that is the conjugate base of O-hexadecanedioyl-L-carnitine; major spoecies at pH 7.3.
(1S,2R,5R,6R,10R,13S,15S)-5-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadec-18-en-13-ol
(1-Hydroxy-3-octanoyloxypropan-2-yl) tetradecanoate
(1-Butanoyloxy-3-hydroxypropan-2-yl) octadecanoate
(1-Heptanoyloxy-3-hydroxypropan-2-yl) pentadecanoate
(1-Hydroxy-3-propanoyloxypropan-2-yl) nonadecanoate
(1-Hydroxy-3-pentanoyloxypropan-2-yl) heptadecanoate
Nandrolone decanoate
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D045930 - Anabolic Agents C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone D050071 - Bone Density Conservation Agents
1,24(S)-Dihydroxyvitamin D2
D018977 - Micronutrients > D014815 - Vitamins > D004872 - Ergocalciferols
(22E,24R)-3beta,5alpha-dihydroxyergosta-7,22-dien-6-one
An ergostanoid that is (22E)-ergosta-7,22-diene substituted by hydroxy groups at position 3 and 5 and an oxo group at position 6 (the 3beta,5alpha stereoisomer). It has been isolated from Aspergillus ochraceus.
1alpha,25-dihydroxyvitamin D2 / 1alpha,,25-dihydroxyergocalciferol
(1s,3as,3br,9ar,9bs,11as)-1-hydroxy-1-[(2r,3r,6r)-2-hydroxy-6-isopropyloxan-3-yl]-9a,11a-dimethyl-2h,3h,3ah,3bh,4h,5h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one
16'-hydroxy-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-11'-en-10'-one
n-[(1s)-1-[(6s,8r,11r,12s,14r,15s,16r)-6-(dimethylamino)-14-hydroxy-7,7,12,16-tetramethyltetracyclo[9.7.0.0³,⁸.0¹²,¹⁶]octadeca-1(18),2-dien-15-yl]ethyl]carboximidic acid
(1s,9r,11s,12s,15r,16r,18r)-15-[(2r,5s)-5,6-dimethylheptan-2-yl]-18-hydroxy-2,16-dimethyl-8-oxatetracyclo[9.7.0.0³,⁹.0¹²,¹⁶]octadeca-2,4-dien-7-one
(1s,2r,5s,7r,9s,10s,15r,16r)-15-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadec-11-ene-5,10-diol
(2r,5s,7s,9r,10r,12r,15r,16r)-15-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadec-1(11)-ene-5,10-diol
9a,11a-dimethyl-1-(6-methyl-5-methylidenehept-3-en-2-yl)-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-4,7,9-triol
7-hydroxy-1-(2-hydroxy-6-methyl-5-methylideneheptan-2-yl)-9a,11a-dimethyl-1h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-2-one
13-hydroxy-5b,8,8,11a,13a-pentamethyl-4h,5h,5ah,6h,7h,7ah,9h,10h,11h,11bh,12h,13h-chryseno[1,2-b]furan-4-yl acetate
(1's,2r,2's,4's,7's,8'r,9's,12's,13'r,14'r,16'r)-7',9',13'-trimethyl-5-methylidene-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-ene-14',16'-diol
(2's,4'ar,4'bs,7's,8'ar)-2',4'b,7,8',8',10'a-hexamethyl-2',3',4',4'a,5',6',7',8'a,9',10'-decahydro-3h-spiro[1-benzofuran-2,1'-phenanthrene]-4,5,7'-triol
(2r,3r,4r,5s,6s)-2-{[(3r,4s,11s)-11-ethyl-2-hydroxy-3-methyl-1-azacyclotetradec-1-en-4-yl]oxy}-6-methyl-4-(methylamino)oxane-3,5-diol
(1s,2s,5s,14r,15r)-14-[(2r,3e,5s)-5,6-dimethylhept-3-en-2-yl]-5-hydroxy-2,15-dimethyl-18-oxatetracyclo[8.7.1.0²,⁷.0¹¹,¹⁵]octadec-9-en-16-one
(1r,2r,5r,6r,9r,10r,13s,15r)-5-[(2s,3e,5r)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0¹,⁹.0²,⁶.0¹⁰,¹⁵]nonadec-18-en-13-ol
2-[(2e,6e,10e,12s)-12-hydroxy-11-(hydroxymethyl)-3,7,15-trimethylhexadeca-2,6,10,14-tetraen-1-yl]-6-methylbenzene-1,4-diol
4-hydroxy-3-{[3-(hydroxymethyl)-3,3a,6,7,9a-pentamethyl-octahydro-1h-cyclopenta[a]naphthalen-6-yl]methyl}benzoic acid
(1'r,2r,2's,4's,5r,7's,8'r,9's,12's,13'r,18's)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-16',19'-dione
1-(5,6-dimethylhept-3-en-2-yl)-5a,7-dihydroxy-9a,11a-dimethyl-1h,2h,3h,3ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one
(4r,5ar,5br,7as,11as,11br,13r,13ar)-13-hydroxy-5b,8,8,11a,13a-pentamethyl-4h,5h,5ah,6h,7h,7ah,9h,10h,11h,11bh,12h,13h-chryseno[1,2-b]furan-4-yl acetate
(1r,3ar,5r,5ar,7s,9ar,11ar)-1-[(2r,3e)-5,6-dimethylhept-3-en-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,5h,6h,7h,8h,9h,11h-cyclopenta[a]phenanthrene-5,5a,7-triol
(4r,6r,7z,10e)-4-hydroxy-13-[(2r)-6-hydroxy-2,8-dimethyl-3,4-dihydro-1-benzopyran-2-yl]-2,6,10-trimethyltrideca-7,10-dien-5-one
(4r)-4-hydroxy-13-[(2r)-6-hydroxy-2,8-dimethyl-3,4-dihydro-1-benzopyran-2-yl]-2,6,10-trimethyltrideca-2,10-dien-5-one
(4r,6s,7z,10e)-4-hydroxy-13-[(2r)-6-hydroxy-2,8-dimethyl-3,4-dihydro-1-benzopyran-2-yl]-2,6,10-trimethyltrideca-7,10-dien-5-one
(4r)-4-[(1r,3ar,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-4,7-dioxo-1h,2h,3h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]pentanoic acid
(5s)-5-[(3r,8r,10s,11s,12s,15s,16r)-10-hydroxy-7,7,12,16-tetramethyl-6-oxopentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl]-5-methyloxolan-2-one
(4as,4br,6s,6ar,7r,10as,10br,12as)-7,8-diformyl-1,1,4a,6a,10b-pentamethyl-2,3,4,4b,5,6,7,10,10a,11,12,12a-dodecahydrochrysen-6-yl acetate
(3e,5s,7s,20s)-20-[(2r,4r)-2,4-dihydroxypentyl]-5,7-dihydroxy-1-oxacycloicos-3-en-2-one
15-(5,6-dimethylhept-3-en-2-yl)-2,16-dimethyl-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadec-11-ene-5,10-diol
2-[(2e,6e,10e)-12-hydroxy-11-(hydroxymethyl)-3,7,15-trimethylhexadeca-2,6,10,14-tetraen-1-yl]-6-methylbenzene-1,4-diol
5-(5,6-dimethylhept-3-en-2-yl)-2,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0¹,⁹.0²,⁶.0¹⁰,¹⁵]nonadec-18-en-13-ol
2-(10,11-dihydroxy-3,7,11,15-tetramethylhexadeca-2,6,14-trien-1-yl)-6-methylcyclohexa-2,5-diene-1,4-dione
(1s,5as,5br,7as,11as,11br,13as,13bs)-5b,8,8,11a,13a-pentamethyl-13-oxo-1h,3h,5h,5ah,6h,7h,7ah,9h,10h,11h,11bh,12h,13bh-chryseno[1,2-c]furan-1-yl acetate
(1s,3r,6s,9s,10r,11s,15s,17r,19s,20r)-17-ethoxy-15-methoxy-3,6,19-trimethyl-9-(prop-1-en-2-yl)-16-oxapentacyclo[12.5.1.0³,¹¹.0⁶,¹⁰.0¹⁷,²⁰]icos-13-ene
(1s,2r,6r,9r,10r,13s,15s)-5-[(2r,3e,5s)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0¹,⁹.0²,⁶.0¹⁰,¹⁵]nonadec-18-en-13-ol
8-acetyl-1-ethyl-1,4a,6a,10b-tetramethyl-2,3,4,4b,5,6,7,10,10a,11,12,12a-dodecahydrochrysen-6-yl acetate
3-{[(3r,3ar,5as,6r,7r,9as,9br)-3-(hydroxymethyl)-3,3a,6,7,9a-pentamethyl-octahydro-1h-cyclopenta[a]naphthalen-6-yl]methyl}-4-hydroxybenzoic acid
6,10-dimethyl-5-(6-methyl-5-methylideneheptan-2-yl)-16,17-dioxapentacyclo[13.2.2.0¹,⁹.0²,⁶.0¹⁰,¹⁵]nonadec-18-en-13-ol
4-hydroxy-1,11,14,18,18-pentamethyl-8-oxapentacyclo[11.8.0.0²,¹¹.0⁵,⁹.0¹⁴,¹⁹]henicosa-5(9),6-dien-10-yl acetate
(2s,3r,4s,5s,6r)-4-amino-2-{[(5r,6r,9s,13s)-13-ethyl-14-hydroxy-5,9-dimethyl-1-azacyclotetradec-1(14)-en-6-yl]oxy}-6-methyloxane-3,5-diol
22E-3β,5α-dihydroxyergosta-7,22-dien-6-one
{"Ingredient_id": "HBIN003725","Ingredient_name": "22E-3\u03b2,5\u03b1-dihydroxyergosta-7,22-dien-6-one","Alias": "NA","Ingredient_formula": "C28H44O3","Ingredient_Smile": "CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2=CC(=O)C4(C3(CCC(C4)O)C)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "37184","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(3β,5α,8α,22E,24R)-5,8-Epidioxyergosta-6,22-dien-3-ol
{"Ingredient_id": "HBIN008090","Ingredient_name": "(3\u03b2,5\u03b1,8\u03b1,22E,24R)-5,8-Epidioxyergosta-6,22-dien-3-ol","Alias": "NA","Ingredient_formula": "C28H44O3","Ingredient_Smile": "CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C24C=CC5(C3(CCC(C5)O)C)OO4)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41289","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-epineoruscogenin
{"Ingredient_id": "HBIN008490","Ingredient_name": "3-epineoruscogenin","Alias": "NA","Ingredient_formula": "C27H40O4","Ingredient_Smile": "CC1C2C(CC3C2(CCC4C3CC=C5C4(C(CC(C5)O)O)C)C)OC16CCC(=C)CO6","Ingredient_weight": "428.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6973","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "21626040","DrugBank_id": "NA"}
5,8-epidioxyergosta-6,22-dien-3-ol
{"Ingredient_id": "HBIN011351","Ingredient_name": "5,8-epidioxyergosta-6,22-dien-3-ol","Alias": "NA","Ingredient_formula": "C28H44O3","Ingredient_Smile": "CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C24C=CC5(C3(CCC(C5)O)C)OO4)C","Ingredient_weight": "428.6 g/mol","OB_score": "22.70962694","CAS_id": "NA","SymMap_id": "SMIT08480","TCMID_id": "NA","TCMSP_id": "MOL006943","TCM_ID_id": "NA","PubChem_id": "6433319","DrugBank_id": "NA"}
9(11)-dehydrohecogenin
{"Ingredient_id": "HBIN013967","Ingredient_name": "9(11)-dehydrohecogenin","Alias": "NA","Ingredient_formula": "C27H40O4","Ingredient_Smile": "CC1CCC2(C(C3C(O2)CC4C3(C(=O)C=C5C4CCC6C5(CCC(C6)O)C)C)C)OC1","Ingredient_weight": "428.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4927","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "15011079","DrugBank_id": "NA"}