Metabolites-Aladdin Scientific

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Lapatinib, Inhibitor of epidermal growth factor receptor;Inhibitor of erb-b2 receptor tyrosine kinase 2
- ≥99%
Cas#: 231277-92-2 Compound CID: 208908

Formula: C₂₉H₂₆ClFN₄O₄S Molecular Weight: 581.06

IUPAC Name: N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine

SMILES: CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl

InChIKey: BCFGMOOMADDAQU-UHFFFAOYSA-N

InChI: InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)

Synonyms: EN300-117254 | Kinome_3685 | 231277-92-2 (free base) | D08108 | GSK 572016 | GTPL5692 | Lapatinib free base | N-(3-ch...
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D-erythro-sphingosine-1-phosphate, Agonist of GPR12;Agonist of GPR3;Agonist of GPR63;Agonist of GPR6;Agonist of P2RY10;Agonist of S1P 1 receptor;Agonist of S1P 2 receptor;Agonist of S1P 3 receptor;Agonist of S1P 4 receptor;Agonist of S1P 5 receptor
- ≥98%
Cas#: 26993-30-6 Compound CID: 5283560

Formula: C₁₈H₃₈NO₅P Molecular Weight: 379.472

IUPAC Name: [(E,2S,3R)-2-amino-3-hydroxyoctadec-4-enyl] dihydrogen phosphate

SMILES: CCCCCCCCCCCCCC=CC(C(COP(=O)(O)O)N)O

InChIKey: DUYSYHSSBDVJSM-KRWOKUGFSA-N

InChI: InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1

Synonyms: (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate | 4-Octadecene-1,3-diol, 2-amino-, 1-(dihydrogen p...
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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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Spaglumic Acid, Agonist of mGlu 3 receptor
- ≥98%
Cas#: 3106-85-2 Compound CID: 188803

Formula: C₁₁H₁₆N₂O₈ Molecular Weight: 304.25

IUPAC Name: (2S)-2-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]pentanedioic acid

SMILES: CC(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)O)C(=O)O

InChIKey: OPVPGKGADVGKTG-BQBZGAKWSA-N

InChI: InChI=1S/C11H16N2O8/c1-5(14)12-7(4-9(17)18)10(19)13-6(11(20)21)2-3-8(15)16/h6-7H,2-4H2,1H3,(H,12,14)(H,13,19)(H,15,16)(H,17,18)(H,20,21)/t6-,7-/m0/s1

Synonyms: AB00053333_02 | Acetyl-alpha-L-aspartylglutamic acid | SPBio_001502 | N-Acetyl-a-L-aspartyl-L-glutamic acid | Acido i...
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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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L(+)-Glutamic acid
- ≥98.5%
Cas#: 56-86-0 Compound CID: 33032

Formula: C₅H₉NO₄ Molecular Weight: 147.13

IUPAC Name: (2S)-2-aminopentanedioic acid

SMILES: C(CC(=O)O)C(C(=O)O)N

InChIKey: WHUUTDBJXJRKMK-VKHMYHEASA-N

InChI: InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1

Synonyms: DTXCID30659 | glt | 1ii5 | Glutamate, L- | Glutamic acid, (S)- | Glutaton | glutamate | L-Glutaminic acid | Gamma-L-G...
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L(+)-Glutamic acid
- ≥99%
Cas#: 56-86-0 Compound CID: 33032

Formula: C₅H₉NO₄ Molecular Weight: 147.13

IUPAC Name: (2S)-2-aminopentanedioic acid

SMILES: C(CC(=O)O)C(C(=O)O)N

InChIKey: WHUUTDBJXJRKMK-VKHMYHEASA-N

InChI: InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1

Synonyms: DTXCID30659 | glt | 1ii5 | Glutamate, L- | Glutamic acid, (S)- | Glutaton | glutamate | L-Glutaminic acid | Gamma-L-G...
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L(+)-Glutamic acid
- 10mM in Water
Cas#: 56-86-0 Compound CID: 33032

Formula: C₅H₉NO₄ Molecular Weight: 147.13

IUPAC Name: (2S)-2-aminopentanedioic acid

SMILES: C(CC(=O)O)C(C(=O)O)N

InChIKey: WHUUTDBJXJRKMK-VKHMYHEASA-N

InChI: InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1

Synonyms: L-glutamic acid|GLUTAMIC ACID|56-86-0|L-glutamate|(2S)-2-Aminopentanedioic acid|(S)-2-Aminopentanedioic acid|Glutamid...
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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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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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