Metabolites

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  1. 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...
  2. 8(S)-HETE, Agonist of Peroxisome proliferator-activated receptor-α
    Cas#: 98462-03-4        Compound CID:  5283154
    Formula:  C20H32O3        Molecular Weight: 320.47
    IUPAC Name: (5Z,8S,9E,11Z,14Z)-8-hydroxyicosa-5,9,11,14-tetraenoic acid
    SMILES: CCCCCC=CCC=CC=CC(CC=CCCCC(=O)O)O
    InChIKey: NLUNAYAEIJYXRB-VYOQERLCSA-N
    InChI: InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-13-16-19(21)17-14-11-12-15-18-20(22)23/h6-7,9-11,13-14,16,19,21H,2-5,8,12,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,14-11-,16-13+/t19-/m1/s1
    Synonyms: NLUNAYAEIJYXRB-VYOQERLCSA-N | 8(S)-HETE | 8(S)-hydroxy-5(Z),9(E),11(Z),14(Z)-eicosatetraenoic acid | 8(S-hydroxy-(5Z,...
  3. 5,8,11,14-Eicosatetraynoic acid, Agonist of Peroxisome proliferator-activated receptor-α
    Cas#: 1191-85-1        Compound CID:  1780
    Formula:  C20H24O2        Molecular Weight: 296.5
    IUPAC Name: icosa-5,8,11,14-tetraynoic acid
    SMILES: CCCCCC#CCC#CCC#CCC#CCCCC(=O)O
    InChIKey: MGLDCXPLYOWQRP-UHFFFAOYSA-N
    InChI: InChI=1S/C20H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-5,8,11,14,17-19H2,1H3,(H,21,22)
    Synonyms: Bio1_000150 | HMS3402I11 | Eicosatetraynoic acid | HMS1989I11 | HMS1361I11 | NCGC00021784-05 | MLS000069514 | NCGC000...
  4. phosphatidyl (3,5) inositol bisphosphate, Activator of TPC1;Activator of TPC2;Activator of TRPML1;Activator of TRPML2;Activator of TRPML3
    Cas#: 214282-36-7        Compound CID:  643961
    Formula:        
    IUPAC Name: [(2R)-2-hexadecanoyloxy-3-[hydroxy-[(2R,3R,5S,6R)-2,4,6-trihydroxy-3,5-diphosphonooxycyclohexyl]oxyphosphoryl]oxypropyl] hexadecanoate
    SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCCCCCCCCCC)COP(=O)(OC1[C@H](O)[C@H](OP(=O)(O)O)C([C@@H]([C@H]1O)OP(=O)(O)O)O)O
    InChIKey: UZMPYXSDDZXMAI-OHKKONBVSA-N
    InChI: InChI=1S/C41H81O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)55-31-33(57-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)32-56-63(53,54)60-41-37(45)39(58-61(47,48)49)36(44)40(38(41)46)59-62(50,51)52/h33,36-41,44-46H,3-32H2,1-2H3,(H,53,54)(H2,47,48,49)(H2,50,51,52)/t33-,36?,37-,38-,39-,40+,41?/m1/s1
    Synonyms: CHEBI:82954 | 3,5-bis(dihydrogen phosphate) (9CI) | 1,2-diyl dihexadecanoate | DTXSID90349238 | phosphatidyl (3,5) in...
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