Metabolites-Aladdin Scientific

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Arachidonylethanolamide（AEA）, Channel blocker of Ca v3.1;Channel blocker of Ca v3.2;Channel blocker of Ca v3.3;Agonist of CB 1 receptor;Agonist of CB 2 receptor;Allosteric modulator of glycine receptor α1 subunit;Agonist of GPR18;Agonist of GPR55;Channel blocker of K 2P3.1;Inhibitor o
- ≥98%
Cas#: 94421-68-8

Formula: C₂₂H₃₇NO₂ Molecular Weight: 347.543

IUPAC Name: (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-tetraenamide

SMILES: CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCO

InChIKey: LGEQQWMQCRIYKG-DOFZRALJSA-N

InChI: InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-,16-15-

Synonyms: AEA | [14C]Anandamide | AEA-D8 | NAE(20:4) | NCGC00161195-05 | 5,8,11,14-Eicosatetraenamide, N-(2-hydroxyethyl)-, (al...
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N-Oleoylethanolamine, Agonist of GPR119;Agonist of GPR55;Agonist of Peroxisome proliferator-activated receptor-α
- ≥95%
Cas#: 111-58-0 Compound CID: 5283454

Formula: C₂₀H₃₉NO₂ Molecular Weight: 325.529

IUPAC Name: (Z)-N-(2-hydroxyethyl)octadec-9-enamide

SMILES: CCCCCCCCC=CCCCCCCCC(=O)NCCO

InChIKey: BOWVQLFMWHZBEF-KTKRTIGZSA-N

InChI: InChI=1S/C20H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h9-10,22H,2-8,11-19H2,1H3,(H,21,23)/b10-9-

Synonyms: OEA | (Z)-N-(2-hydroxyethyl)octadec-9-enamide;Oleoylethanolamide | AKOS015839895 | BDBM29080 | N-Oleoyl-2-aminoethano...
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Gallic acid, Inhibitor of carbonic anhydrase 1
- ≥99%
Cas#: 149-91-7 Compound CID: 370

Formula: C₇H₆O₅ Molecular Weight: 170.12

IUPAC Name: 3,4,5-trihydroxybenzoic acid

SMILES: C1=C(C=C(C(=C1O)O)O)C(=O)O

InChIKey: LNTHITQWFMADLM-UHFFFAOYSA-N

InChI: InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)

Synonyms: NSC 674319 | gallate | HSDB 2117 | CCRIS 5523 | Gallic acid, tech. | Kyselina gallova | MFCD00002510 | CHEBI:30778 | ...
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Virodhamine, Agonist of GPR55
- ≥98%
Cas#: 287937-12-6 Compound CID: 5712057

Formula: C₂₂H₃₇NO₂ Molecular Weight: 347.53

IUPAC Name: 2-aminoethyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate

SMILES: CCCCCC=CCC=CCC=CCC=CCCCC(=O)OCCN

InChIKey: DLHLOYYQQGSXCC-DOFZRALJSA-N

InChI: InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)25-21-20-23/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21,23H2,1H3/b7-6-,10-9-,13-12-,16-15-

Synonyms: (5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid 2-amino-ethyl ester | 5,8,11,14-Eicosatetraenoic acid, 2-aminoethyl e...
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N-Arachidonylglycine (NAGly), Agonist of GPR18;Agonist of LPA 5 receptor
- ≥98%
Cas#: 179113-91-8 Compound CID: 5283389

Formula: C₂₂H₃₅NO₃ Molecular Weight: 361.52

IUPAC Name: 2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]amino]acetic acid

SMILES: CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCC(=O)O

InChIKey: YLEARPUNMCCKMP-DOFZRALJSA-N

InChI: InChI=1S/C22H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(24)23-20-22(25)26/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-20H2,1H3,(H,23,24)(H,25,26)/b7-6-,10-9-,13-12-,16-15-

Synonyms: LP00074 | NAGly | NA-Gly | HMS1989I06 | N-((5Z,8Z,11Z,14Z)-1-Oxo-5,8,11,14-eicosatetraen-1-yl)glycine | N-arachidonoy...
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Noladin ether, Agonist of GPR55
- ≥98%
- a solution in ethanol
Cas#: 222723-55-9 Compound CID: 6483057

Formula: C₂₃H₄₀O₃ Molecular Weight: 364.6

IUPAC Name: 2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]propane-1,3-diol

SMILES: CCCCCC=CCC=CCC=CCC=CCCCCOC(CO)CO

InChIKey: CUJUUWXZAQHCNC-DOFZRALJSA-N

InChI: InChI=1S/C23H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-23(21-24)22-25/h6-7,9-10,12-13,15-16,23-25H,2-5,8,11,14,17-22H2,1H3/b7-6-,10-9-,13-12-,16-15-

Synonyms: Noladin | 2-AG ether | 6,7-DIHYDRO-5H-PYRINDINE | BCP04588 | PD020897 | BDBM50171296 | 2-O-(5Z,8Z,11Z,14Z)-eicosatetr...
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2-arachidonoylglycerolphosphoinositol, Agonist of GPR55
IUPAC Name: [3-hydroxy-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxypropyl] (2,3,4,5,6-pentahydroxycyclohexyl) phosphate

SMILES: CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC(COP(=O)(OC1C(O)C(O)C(C(C1O)O)O)[O-])CO

InChIKey: OKEQUIXTUXJQNT-DOFZRALJSA-M

InChI: InChI=1S/C29H49O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(31)40-22(20-30)21-39-42(37,38)41-29-27(35)25(33)24(32)26(34)28(29)36/h6-7,9-10,12-13,15-16,22,24-30,32-36H,2-5,8,11,14,17-21H2,1H3,(H,37,38)/p-1/b7-6-,10-9-,13-12-,16-15-
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farnesyl diphosphate, Agonist of LPA 2 receptor;Antagonist of LPA 3 receptor;Antagonist of LPA 4 receptor;Agonist of LPA 5 receptor;Activator of TRPV3
Cas#: 13058-04-3 Compound CID: 11132720

IUPAC Name: phosphono [(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] hydrogen phosphate

SMILES: C/C(=C/COP(=O)(OP(=O)(O)O)O)/CC/C=C(\CCC=C(C)C)/C

InChIKey: VWFJDQUYCIWHTN-FBXUGWQNSA-N

InChI: InChI=1S/C15H28O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-9-,15-11-
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farnesyl monophosphate, Antagonist of LPA 2 receptor;Antagonist of LPA 3 receptor;Antagonist of LPA 4 receptor;Agonist of LPA 5 receptor
IUPAC Name: [(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] dihydrogen phosphate

SMILES: C/C(=C/CC/C(=C\COP(=O)(O)O)/C)/CCC=C(C)C

InChIKey: ALEWCKXBHSDCCT-FBXUGWQNSA-N

InChI: InChI=1S/C15H27O4P/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-19-20(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H2,16,17,18)/b14-9-,15-11-

Synonyms: SCHEMBL2506806 | FFT | [(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] dihydrogen phosphate | GTPL2911 | Farnesyl mon...
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hexamethonium, Channel blocker of nicotinic acetylcholine receptor α2 subunit;Channel blocker of nicotinic acetylcholine receptor α3 subunit;Channel blocker of nicotinic acetylcholine receptor α4 subunit;Channel blocker of nicotinic acetylcholine receptor α6 subunit
Cas#: 60-26-4 Compound CID: 3604

IUPAC Name: trimethyl[6-(trimethylazaniumyl)hexyl]azanium

SMILES: C[N+](CCCCCC[N+](C)(C)C)(C)C

InChIKey: VZJFGSRCJCXDSG-UHFFFAOYSA-N

InChI: InChI=1S/C12H30N2/c1-13(2,3)11-9-7-8-10-12-14(4,5)6/h7-12H2,1-6H3/q+2

Synonyms: Prestwick1_000038 | Prestwick3_000038 | N,N,N,N',N',N'-hexamethylhexane-1,6-diaminium | .ALPHA.,.OMEGA.-BIS(TRIMETHYL...
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lysophosphatidylinositol, Agonist of GPR119;Agonist of GPR55;Activator of TRPV2
SMILES: O[C@@H](COC(=O)C)COP(=O)(O[C@@H]1[C@H](O)[C@H](O)[C@H]([C@@H]([C@H]1O)O)O)O

InChIKey: FBDBXJJQMHPGMP-IFUOQLDVSA-N

InChI: InChI=1S/C11H21O12P/c1-4(12)21-2-5(13)3-22-24(19,20)23-11-9(17)7(15)6(14)8(16)10(11)18/h5-11,13-18H,2-3H2,1H3,(H,19,20)/t5-,6-,7-,8+,9+,10+,11-/m0/s1
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