Metabolites-Aladdin Scientific

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2'-Deoxyadenosine 5'-triphosphate [dATP] trisodium salt hydrate, Agonist of P2Y 11 receptor

Grade & Purity:

≥98%

Cas#: 1927-31-7

Formula: C₁₀H₁₃N₅Na₃O₁₂P₃(anhydrous) Molecular Weight: 557.13(anhydrous)

IUPAC Name: [[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

SMILES: C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)COP(=O)([O-])OP(=O)([O-])OP(=O)(O)[O-])O.[Na+].[Na+].[Na+]

InChIKey: SUYVUBYJARFZHO-RRKCRQDMSA-N

InChI: InChI=1S/C10H16N5O12P3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(25-7)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1

Synonyms: Adenosine 5'-(tetrahydrogen triphosphate), 2'-deoxy- | UNII-K8KCC8SH6N | 4-26-00-03593 (Beilstein Handbook Reference)...

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, Agonist of DP 1 receptor;Agonist of DP 2 receptor;Agonist of EP 1 receptor;Agonist of EP 2 receptor;Agonist of EP 3 receptor;Agonist of EP 4 receptor;Agonist of FP receptor

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Prostaglandin D2, Agonist of DP 1 receptor;Agonist of DP 2 receptor;Agonist of EP 1 receptor;Agonist of EP 2 receptor;Agonist of EP 3 receptor;Agonist of EP 4 receptor;Agonist of FP receptor

Grade & Purity:

Moligand™

≥99%

Cas#: 41598-07-6 Compound CID: 448457

Formula: C₂₀H₃₂O₅ Molecular Weight: 352.47

IUPAC Name: (Z)-7-[(1R,2R,5S)-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxocyclopentyl]hept-5-enoic acid

SMILES: CCCCCC(C=CC1C(C(CC1=O)O)CC=CCCCC(=O)O)O

InChIKey: BHMBVRSPMRCCGG-OUTUXVNYSA-N

InChI: InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-/m0/s1

Synonyms: PGD2 | Prosta-5,13-dien-1-oic acid, 9,15-dihydroxy-11-oxo-, (5Z,9-alpha,13E,15S)- | (5Z,13E)-(15S)-9,15-dihydroxy-11-...

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Folinic acid calcium salt hydrate

Grade & Purity:

≥98%

Cas#: 1492-18-8

Formula: C₂₀H₂₁CaN₇O₇ · xH₂O Molecular Weight: 511.50 (anhydrous basis)

IUPAC Name: calcium;(2S)-2-[[4-[(2-amino-5-formyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioate

SMILES: [Ca++].[H]O[H].[H]C(=O)N1C(CNc2ccc(cc2)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)CNc3nc(N)nc(O)c13

InChIKey: KVUAALJSMIVURS-ZEDZUCNESA-L

InChI: InChI=1S/C20H23N7O7.Ca/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30;/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32);/q;+2/p-2/t12?,13-;/m0./s1

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, Agonist of Estrogen receptor-α;Agonist of Estrogen receptor-β;Antagonist of Estrogen-related receptor-α;Antagonist of Estrogen-related receptor-β;Antagonist of Estrogen-related receptor-γ

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Diethylstilbestrol, Agonist of Estrogen receptor-α;Agonist of Estrogen receptor-β;Antagonist of Estrogen-related receptor-α;Antagonist of Estrogen-related receptor-β;Antagonist of Estrogen-related receptor-γ

Grade & Purity:

Moligand™

≥99%

Cas#: 56-53-1 Compound CID: 448537

Formula: C₁₈H₂₀O₂ Molecular Weight: 268.35

IUPAC Name: 4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol

SMILES: CCC(=C(CC)C1=CC=C(C=C1)O)C2=CC=C(C=C2)O

InChIKey: RGLYKWWBQGJZGM-ISLYRVAYSA-N

InChI: InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+

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S-(5′-Adenosyl)-L-homocysteine (SAH)

Grade & Purity:

Moligand™

≥98%

Cas#: 979-92-0 Compound CID: 439155

Formula: C₁₄H₂₀N₆O₅S Molecular Weight: 384.41

IUPAC Name: (2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid

SMILES: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CSCCC(C(=O)O)N)O)O)N

InChIKey: ZJUKTBDSGOFHSH-WFMPWKQPSA-N

InChI: InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1

Synonyms: 5'-Deoxy-S-adenosyl-L-homocysteine | CCG-208703 | S-(5'-Adenosyl)-L-homocysteine, crystalline | S-(5'-Deoxyadenosine-...

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Glycocholic acid

Grade & Purity:

Moligand™

≥97%

Cas#: 475-31-0 Compound CID: 10140

Formula: C₂₆H₄₃NO₆ Molecular Weight: 465.62

IUPAC Name: 2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid

SMILES: CC(CCC(=O)NCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C

InChIKey: RFDAIACWWDREDC-FRVQLJSFSA-N

InChI: InChI=1S/C26H43NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33)/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-/m1/s1

Synonyms: Cholylglycine | glycocholate

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(L)-Dehydroascorbic acid

Grade & Purity:

Moligand™

Cas#: 490-83-5 Compound CID: 440667

Formula: C₆H₆O₆ Molecular Weight: 174.11

IUPAC Name: (5R)-5-[(1S)-1,2-dihydroxyethyl]oxolane-2,3,4-trione

SMILES: C(C(C1C(=O)C(=O)C(=O)O1)O)O

InChIKey: SBJKKFFYIZUCET-JLAZNSOCSA-N

InChI: InChI=1S/C6H6O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-8H,1H2/t2-,5+/m0/s1

Synonyms: L-Dehydro Ascorbic Acid | Dehydroascorbic acid | L-threo-2,3-Hexodiulosonic acid γ-lactone | DHAA

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Pantothenic acid (pantothenate)

Grade & Purity:

Moligand™

≥95%

Cas#: 79-83-4 Compound CID: 6613

Formula: C₉H₁₇NO₅ Molecular Weight: 219.23

IUPAC Name: 3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid

SMILES: CC(C)(CO)C(C(=O)NCCC(=O)O)O

InChIKey: GHOKWGTUZJEAQD-ZETCQYMHSA-N

InChI: InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/t7-/m0/s1

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13-cis-Retinol

Grade & Purity:

Moligand™

≥95%

Cas#: 2052-63-3 Compound CID: 9904001

Formula: C₂₀H₃₀O Molecular Weight: 286.45

IUPAC Name: (2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol

SMILES: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCO)C)C

InChIKey: FPIPGXGPPPQFEQ-HWCYFHEPSA-N

InChI: InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13-

Synonyms: 5DX9U76296 | C19962 | NEOVITAMIN A1 | 13-cis-Vitamin A | (2Z,4E,6E,8E)-3,7-DIMETHYL-9-(2,6,6-TRIMETHYL-1-CYCLOHEXENYL...

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Brassicasterol

Grade & Purity:

≥97%

Cas#: 474-67-9 Compound CID: 5281327

Formula: C₂₈H₄₆O Molecular Weight: 398.66

IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

SMILES: CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C

InChIKey: OILXMJHPFNGGTO-ZAUYPBDWSA-N

InChI: InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-9,18-20,22-26,29H,10-17H2,1-6H3/b8-7+/t19-,20+,22-,23-,24+,25-,26-,27-,28+/m0/s1

Synonyms: 24(R)-Methylcholesta-5,22E-dien-3beta-ol | CHEBI:3168 | EINECS 207-486-5 | C08813 | Ergosta-5,22-dien-3-ol, (3b,22E)-...

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Didesethyl Chloroquine

Grade & Purity:

Moligand™

≥98%

Cas#: 4298-14-0 Compound CID: 122672

Formula: C₁₄H₁₈ClN₃ Molecular Weight: 263.77

IUPAC Name: 4-N-(7-chloroquinolin-4-yl)pentane-1,4-diamine

SMILES: CC(CCCN)NC1=C2C=CC(=CC2=NC=C1)Cl

InChIKey: GYEDIFVVTRKXHP-UHFFFAOYSA-N

InChI: InChI=1S/C14H18ClN3/c1-10(3-2-7-16)18-13-6-8-17-14-9-11(15)4-5-12(13)14/h4-6,8-10H,2-3,7,16H2,1H3,(H,17,18)

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3-Ketodihydrosphingosine

Grade & Purity:

Moligand™

≥98%

Cas#: 18944-28-0 Compound CID: 92043337

Formula: C₁₈H₃₇NO₂ Molecular Weight: 299.49

IUPAC Name: (2S)-2-amino-1-hydroxyoctadecan-3-one;hydrochloride

SMILES: CCCCCCCCCCCCCCCC(=O)C(CO)N.Cl

InChIKey: FVUPVZMHCVAKHG-LMOVPXPDSA-N

InChI: InChI=1S/C18H37NO2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20;/h17,20H,2-16,19H2,1H3;1H/t17-;/m0./s1

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