Metabolites

Shop By
View as List Grid

8 Items

Set Descending Direction
  1. Pemetrexed, Inhibitor of dihydrofolate reductase;Inhibitor of phosphoribosylglycinamide formyltransferase; phosphoribosylglycinamide synthetase; phosphoribosylaminoimidazole synthetase;Inhibitor of thymidylate synthetase
    Cas#: 137281-23-3        Compound CID:  135410875
    Formula:  C20H21N5O6        Molecular Weight: 427.41
    IUPAC Name: (2S)-2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioic acid
    SMILES: C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)NC(CCC(=O)O)C(=O)O
    InChIKey: WBXPDJSOTKVWSJ-ZDUSSCGKSA-N
    InChI: InChI=1S/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t13-/m0/s1
    Synonyms: GTPL5443 | N-({4-[2-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]phenyl}carbonyl)-L-glutamic acid...
  2. 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
    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...
  3. Adenosine 3′,5′-cyclic monophosphate, Activator of CNGA2;Activator of CNGA3;Activator of HCN1;Activator of HCN2;Activator of protein kinase A
    Cas#: 60-92-4        Compound CID:  6076
    Formula:  C10H12N5O6P        Molecular Weight: 329.21
    IUPAC Name: (4aR,6R,7R,7aS)-6-(6-aminopurin-9-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
    SMILES: C1C2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O1)O
    InChIKey: IVOMOUWHDPKRLL-KQYNXXCUSA-N
    InChI: InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
    Synonyms: cAMP | bmse000071 | cAMP | Cyclic Monophosphate, Adenosine | 3',5'-cyclic AMP | Adenosine 3',5'-cyclic phosphate | AD...
  4. 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-...
  5. Guanosine 3′,5′-cyclic monophosphate, Activator of CNGA1;Activator of CNGA2;Activator of CNGA3;Activator of HCN2;Activator of phosphodiesterase 2A;Inhibitor of phosphodiesterase 3A;Inhibitor of phosphodiesterase 3B
    Cas#: 7665-99-8        Compound CID:  135398570
    Formula:  C10H12N5O7P        Molecular Weight: 345.21
    IUPAC Name: 9-[(4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-amino-1H-purin-6-one
    SMILES: C1C2C(C(C(O2)N3C=NC4=C3N=C(NC4=O)N)O)OP(=O)(O1)O
    InChIKey: ZOOGRGPOEVQQDX-UUOKFMHZSA-N
    InChI: InChI=1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1
    Synonyms: 3',5'-cGMP | 35G | cyclic gmp | EINECS 231-641-6 | 2-amino-9-[(2S,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxidotetrahydro-4H-f...
  6. Raltitrexed, Thymidylate synthase inhibitor
    Cas#: 112887-68-0        Compound CID:  135400182
    Formula:  C21H22N4O6S        Molecular Weight: 458.49
    IUPAC Name: (2S)-2-[[5-[methyl-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl]amino]thiophene-2-carbonyl]amino]pentanedioic acid
    SMILES: CC1=NC2=C(C=C(C=C2)CN(C)C3=CC=C(S3)C(=O)NC(CCC(=O)O)C(=O)O)C(=O)N1
    InChIKey: IVTVGDXNLFLDRM-HNNXBMFYSA-N
    InChI: InChI=1S/C21H22N4O6S/c1-11-22-14-4-3-12(9-13(14)19(28)23-11)10-25(2)17-7-6-16(32-17)20(29)24-15(21(30)31)5-8-18(26)27/h3-4,6-7,9,15H,5,8,10H2,1-2H3,(H,24,29)(H,26,27)(H,30,31)(H,22,23,28)/t15-/m0/s1
    Synonyms: N-[(5-{methyl[(2-methyl-4-oxo-1,4-dihydroquinazolin-6-yl)methyl]amino}thiophen-2-yl)carbonyl]-L-glutamic acid | RALTI...
  7. 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...
  8. PIP₂, Activator of HCN2;Antagonist of IP 3R1;Activator of K ir2.1;Activator of K ir3.1;Activator of K ir3.2;Activator of K ir3.3;Activator of K ir3.4;Activator of K v7.2;Activator of K v7.4;Activator of PLD2;Activator of TRPM2;Activator of TRPM4;Activator of TR
    IUPAC Name: [(2R)-3-[hydroxy-[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-diphosphonooxycyclohexyl]oxyphosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate
    SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)(O[C@@H]1[C@H](O)[C@H](O)[C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O
    InChIKey: IGQSAMXNWMLOOS-GGDMTQDZSA-N
    InChI: InChI=1S/C45H85O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h17-20,37,40-45,48-50H,3-16,21-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b19-17-,20-18-/t37-,40-,41+,42+,43-,44-,45-/m1/s1
    Synonyms: phosphatidylinositol-4,5-bisphosphate;PIP2
per page

Looking for the right experience?



We noticed your location and want to make sure you’re viewing the most relevant version of our site.
Would you like to be redirected to your local region’s page for a smoother experience?