Metabolites

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  1. 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
    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...
  2. Arvanil, Activator of TRPV1
    Cas#: 128007-31-8        Compound CID:  6449767
    Formula:  C28H41NO3        Molecular Weight: 439.64
    IUPAC Name: (5Z,8Z,11Z,14Z)-N-[(4-hydroxy-3-methoxyphenyl)methyl]icosa-5,8,11,14-tetraenamide
    SMILES: CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCC1=CC(=C(C=C1)O)OC
    InChIKey: QVLMCRFQGHWOPM-ZKWNWVNESA-N
    InChI: InChI=1S/C28H41NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-28(31)29-24-25-21-22-26(30)27(23-25)32-2/h7-8,10-11,13-14,16-17,21-23,30H,3-6,9,12,15,18-20,24H2,1-2H3,(H,29,31)/b8-7-,11-10-,14-13-,17-16-
    Synonyms: NCGC00184560-03 | CHEBI:187796 | NAVA | N-[(4-Hydroxy-3-methoxyphenyl)methyl]-5Z,8Z,11Z,14Z-eicosatetraenamide | Q270...
  3. N-Oleoylethanolamine, Agonist of GPR119;Agonist of GPR55;Agonist of Peroxisome proliferator-activated receptor-α
    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...
  4. KRN-633, Vascular endothelial growth factor receptor inhibitor
    Cas#: 286370-15-8        Compound CID:  9549295
    Formula:  C20H21ClN4O4        Molecular Weight: 416.87
    IUPAC Name: 1-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-propylurea
    SMILES: CCCNC(=O)NC1=C(C=C(C=C1)OC2=NC=NC3=CC(=C(C=C32)OC)OC)Cl
    InChIKey: VPBYZLCHOKSGRX-UHFFFAOYSA-N
    InChI: InChI=1S/C20H21ClN4O4/c1-4-7-22-20(26)25-15-6-5-12(8-14(15)21)29-19-13-9-17(27-2)18(28-3)10-16(13)23-11-24-19/h5-6,8-11H,4,7H2,1-3H3,(H2,22,25,26)
    Synonyms: 1-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-propylurea | 1-(2-chloro-4-((6,7-dimethoxyquinazolin-4-yl)ox...
  5. 5(S)-HPETE, Agonist of OXE receptor;Activator of TRPV1
    Cas#: 71774-08-8        Compound CID:  5280778
    Formula:  C20H32O4        Molecular Weight: 336.47
    IUPAC Name: (5S,6E,8Z,11Z,14Z)-5-hydroperoxyicosa-6,8,11,14-tetraenoic acid
    SMILES: CCCCCC=CCC=CCC=CC=CC(CCCC(=O)O)OO
    InChIKey: JNUUNUQHXIOFDA-JGKLHWIESA-N
    InChI: InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(24-23)17-15-18-20(21)22/h6-7,9-10,12-14,16,19,23H,2-5,8,11,15,17-18H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-14+/t19-/m1/s1
    Synonyms: 5(S)-hydroxyperoxy-6E,8Z,11Z,14Z-icosatetraenoic acid | 5(S)-HPETE | IDI1_033915 | (5S,6E,8Z,11Z,14Z)-5-hydroperoxyic...
  6. 12(S)-HPETE, Activator of TRPV1
      Grade & Purity: 
    • Moligand™
    • ≥98%
    • 50 μg/ml in ethanol
    Cas#: 71774-10-2        Compound CID:  5280892
    Formula:  C20H32O4        Molecular Weight: 336.47
    IUPAC Name: (5Z,8Z,10E,12S,14Z)-12-hydroperoxyicosa-5,8,10,14-tetraenoic acid
    SMILES: CCCCCC=CCC(C=CC=CCC=CCCCC(=O)O)OO
    InChIKey: ZIOZYRSDNLNNNJ-LQWMCKPYSA-N
    InChI: InChI=1S/C20H32O4/c1-2-3-4-5-10-13-16-19(24-23)17-14-11-8-6-7-9-12-15-18-20(21)22/h7-11,13-14,17,19,23H,2-6,12,15-16,18H2,1H3,(H,21,22)/b9-7-,11-8-,13-10-,17-14+/t19-/m0/s1
    Synonyms: UNII-54G1W9LPV0 | 12S-hydroperoxy-5Z,8Z,10E,14Z-eicosatetraenoic acid | (5Z,8Z,10E,14Z)-(12S)-12-Hydroperoxyicosa-5,8...
  7. guanosine 5'-diphosphate, Activator of K ir6.1
    Cas#: 146-91-8        Compound CID:  135398619
    IUPAC Name: [(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
    SMILES: C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
    InChIKey: QGWNDRXFNXRZMB-UUOKFMHZSA-N
    InChI: InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
    Synonyms: 1fzq | guanosine-diphosphate | A808566 | Guanosine 5'-(trihydrogen diphosphate-P-32P) (9CI) | ((2R,3S,4R,5R)-5-(2-Ami...
  8. Hydroxy-α-sanshool
      Grade & Purity: 
    • ≥99%
    Cas#: 83883-10-7        Compound CID:  10084135
    Formula:  C16H25NO2        Molecular Weight: 263.38
    IUPAC Name: (2E,6Z,8E,10E)-N-(2-hydroxy-2-methylpropyl)dodeca-2,6,8,10-tetraenamide
    SMILES: CC=CC=CC=CCCC=CC(=O)NCC(C)(C)O
    InChIKey: LHFKHAVGGJJQFF-UEOYEZOQSA-N
    InChI: InChI=1S/C16H25NO2/c1-4-5-6-7-8-9-10-11-12-13-15(18)17-14-16(2,3)19/h4-9,12-13,19H,10-11,14H2,1-3H3,(H,17,18)/b5-4+,7-6+,9-8-,13-12+
    Synonyms: Hydroxy-?a-?sanshool | AC-34644 | SCHEMBL1031361 | NSC795966 | NSC-795966 | DTXSID20700212 | (2E,6Z,8E,10E)-N-(2-HYDR...
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