Metabolites

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  1. S-(5′-Adenosyl)-L-homocysteine (SAH)
    Cas#: 979-92-0        Compound CID:  439155
    Formula:  C14H20N6O5S        Molecular Weight: 384.41
    IUPAC Name: (2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid
    SMILES: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CSCCC(C(=O)O)N)O)O)N
    InChIKey: ZJUKTBDSGOFHSH-WFMPWKQPSA-N
    InChI: InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1
    Synonyms: 5'-Deoxy-S-adenosyl-L-homocysteine | CCG-208703 | S-(5'-Adenosyl)-L-homocysteine, crystalline | S-(5'-Deoxyadenosine-...
  2. Glycine, sodium-coupled neutral amino acid transporter 4;Agonist of GluN1;Agonist of GluN2A;Agonist of GluN2B;Agonist of GluN2C;Agonist of GluN2D;Agonist of GPRC6 receptor
    Cas#: 56-40-6        Compound CID:  750
    Formula:  NH2CH2COOH        Molecular Weight: 75.07
    IUPAC Name: 2-aminoacetic acid
    SMILES: C(C(=O)O)N
    InChIKey: DHMQDGOQFOQNFH-UHFFFAOYSA-N
    InChI: InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)
    Synonyms: EINECS 200-272-2 | Aciport | Padil | [3H]glycine | GLYCINE (USP MONOGRAPH) | Glycine [USP:INN] | Tocris-0219 | GLYCIN...
  3. L-Alanine, sodium-coupled neutral amino acid transporter 1;sodium-coupled neutral amino acid transporter 2;sodium-coupled neutral amino acid transporter 4
    Cas#: 56-41-7        Compound CID:  5950
    Formula:  C3H7NO2        Molecular Weight: 89.09
    IUPAC Name: (2S)-2-aminopropanoic acid
    SMILES: CC(C(=O)O)N
    InChIKey: QNAYBMKLOCPYGJ-REOHCLBHSA-N
    InChI: InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1
    Synonyms: 14C-L-Alanine | EC 200-273-8 | HSDB 1801 | NSC-206315 | Alanine (VAN) | ALA-OH | L-Alanine, labeled with tritium | L-...
  4. S-(5′-Adenosyl)-L-homocysteine
    Cas#: 979-92-0        Compound CID:  439155
    Formula:  C14H20N6O5S        Molecular Weight: 384.41
    IUPAC Name: (2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid
    SMILES: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CSCCC(C(=O)O)N)O)O)N
    InChIKey: ZJUKTBDSGOFHSH-WFMPWKQPSA-N
    InChI: InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1
    Synonyms: S-adenosylhomocysteine|S-adenosyl-L-homocysteine|979-92-0|AdoHcy|S-(5'-adenosyl)-L-homocysteine|S-(5'-deoxyadenosin-5...
  5. L-Alanine, sodium-coupled neutral amino acid transporter 1;sodium-coupled neutral amino acid transporter 2;sodium-coupled neutral amino acid transporter 4
    Cas#: 56-41-7        Compound CID:  5950
    Formula:  C3H7NO2        Molecular Weight: 89.09
    IUPAC Name: (2S)-2-aminopropanoic acid
    SMILES: CC(C(=O)O)N
    InChIKey: QNAYBMKLOCPYGJ-REOHCLBHSA-N
    InChI: InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1
    Synonyms: (S)-2-Aminopropionic acid | L-α-Aminopropionic acid
  6. 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 ...
  7. 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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