Metabolites

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  1. D-erythro-sphingosine, Activator of TRPM3;Channel blocker of TRPM7
    Cas#: 123-78-4        Compound CID:  5280335
    Formula:  C18H37NO2        Molecular Weight: 299.492
    IUPAC Name: (E,2S,3R)-2-aminooctadec-4-ene-1,3-diol
    SMILES: CCCCCCCCCCCCCC=CC(C(CO)N)O
    InChIKey: WWUZIQQURGPMPG-KRWOKUGFSA-N
    InChI: InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/b15-14+/t17-,18+/m0/s1
    Synonyms: DL-ERYTHRO-SPHINGOSINE [MI] | dl-Erythro-sphingosine | trans-4-Sphingenine | (2S,3R)-Sphingosine | 4-Octadecene-1,3-d...
  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. Spermine, Agonist of CaS receptor;Channel blocker of K ir2.1;Channel blocker of K ir2.3;Agonist of Retinoic acid receptor-α;Agonist of Retinoic acid receptor-β;Agonist of Retinoic acid receptor-γ;Channel blocker of TRPM4;Channel blocker of TRPM5;Channel blocker of
    Cas#: 71-44-3        Compound CID:  1103
    Formula:  C10H26N4        Molecular Weight: 202.34
    IUPAC Name: N,N'-bis(3-aminopropyl)butane-1,4-diamine
    SMILES: C(CCNCCCN)CNCCCN
    InChIKey: PFNFFQXMRSDOHW-UHFFFAOYSA-N
    InChI: InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2
    Synonyms: AS-35114 | n1,n1'-(butane-1,4-diyl)dipropane-1,3-diamine | 2FZ7Y3VOQX | BPBio1_001086 | SMR001397086 | 1,4-Bis(aminop...
  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. Spermine
    Cas#: 71-44-3        Compound CID:  1103
    Formula:  C10H26N4        Molecular Weight: 202.34
    IUPAC Name: N,N'-bis(3-aminopropyl)butane-1,4-diamine
    SMILES: C(CCNCCCN)CNCCCN
    InChIKey: PFNFFQXMRSDOHW-UHFFFAOYSA-N
    InChI: InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2
    Synonyms: AS-35114 | n1,n1'-(butane-1,4-diyl)dipropane-1,3-diamine | 2FZ7Y3VOQX | BPBio1_001086 | SMR001397086 | 1,4-Bis(aminop...
  6. 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...
  7. Spermine
    Cas#: 71-44-3        Compound CID:  1103
    Formula:  C10H26N4        Molecular Weight: 202.34
    IUPAC Name: N,N'-bis(3-aminopropyl)butane-1,4-diamine
    SMILES: C(CCNCCCN)CNCCCN
    InChIKey: PFNFFQXMRSDOHW-UHFFFAOYSA-N
    InChI: InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2
    Synonyms: spermine|71-44-3|musculamine|neuridine|gerontine|Spermin|4,9-Diaza-1,12-dodecanediamine|N,N'-Bis(3-aminopropyl)-1,4-b...
  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
  9. Acetylcholine, Agonist of M 1 receptor;Agonist of M 2 receptor;Agonist of M 3 receptor;Agonist of M 4 receptor;Agonist of M 5 receptor
    Cas#: 51-84-3        Compound CID:  187
    Formula:  C7H16NO2+        Molecular Weight: 146.21
    IUPAC Name: 2-acetyloxyethyl(trimethyl)azanium
    SMILES: CC(=O)OCC[N+](C)(C)C
    InChIKey: OIPILFWXSMYKGL-UHFFFAOYSA-N
    InChI: InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
    Synonyms: ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl | ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl- | KBio1_000686 | C01996 | ...
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