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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Taurocholic Acid, Inhibitor of OATP1C1;Sodium/bile acid and sulphated solute cotransporter 2
- ≥98%
Cas#: 81-24-3 Compound CID: 6675

Formula: C₂₆H₄₅NO₇S Molecular Weight: 515.7

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]ethanesulfonic acid

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

InChIKey: WBWWGRHZICKQGZ-HZAMXZRMSA-N

InChI: InChI=1S/C26H45NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1

Synonyms: Cholic acid taurine conjugate | N-Choloyltaurine | N-choloyl-taurine | Cholaic acid | 3alpha,7alpha,12alpha-Trihydrox...
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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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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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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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arachidonyl-2-chloroethylamide, Agonist of CB 1 receptor
IUPAC Name: (5Z,8Z,11Z,14Z)-N-(2-chloroethyl)icosa-5,8,11,14-tetraenamide

SMILES: CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCCl

InChIKey: SCJNCDSAIRBRIA-DOFZRALJSA-N

InChI: InChI=1S/C22H36ClNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)24-21-20-23/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21H2,1H3,(H,24,25)/b7-6-,10-9-,13-12-,16-15-

Synonyms: SR-01000946682 | GLXC-27067 | HMS3649N11 | AKOS024456526 | GTPL738 | (5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid ...
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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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