Metabolites
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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 oCas#: 94421-68-8Formula: C22H37NO2 Molecular Weight: 347.543IUPAC Name: (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-tetraenamideSMILES: CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCOInChIKey: LGEQQWMQCRIYKG-DOFZRALJSA-NInChI: 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...
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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 ofCas#: 71-44-3 Compound CID: 1103Formula: C10H26N4 Molecular Weight: 202.34IUPAC Name: N,N'-bis(3-aminopropyl)butane-1,4-diamineSMILES: C(CCNCCCN)CNCCCNInChIKey: PFNFFQXMRSDOHW-UHFFFAOYSA-NInChI: InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2Synonyms: AS-35114 | n1,n1'-(butane-1,4-diyl)dipropane-1,3-diamine | 2FZ7Y3VOQX | BPBio1_001086 | SMR001397086 | 1,4-Bis(aminop...
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SpermineCas#: 71-44-3 Compound CID: 1103Formula: C10H26N4 Molecular Weight: 202.34IUPAC Name: N,N'-bis(3-aminopropyl)butane-1,4-diamineSMILES: C(CCNCCCN)CNCCCNInChIKey: PFNFFQXMRSDOHW-UHFFFAOYSA-NInChI: InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2Synonyms: AS-35114 | n1,n1'-(butane-1,4-diyl)dipropane-1,3-diamine | 2FZ7Y3VOQX | BPBio1_001086 | SMR001397086 | 1,4-Bis(aminop...
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L-Histidine, Activator of carbonic anhydrase 1;Activator of carbonic anhydrase 14;Activator of carbonic anhydrase 5A;Activator of carbonic anhydrase 7Cas#: 71-00-1 Compound CID: 6274Formula: C6H9N3O2 Molecular Weight: 155.15IUPAC Name: (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acidSMILES: C1=C(NC=N1)CC(C(=O)O)NInChIKey: HNDVDQJCIGZPNO-YFKPBYRVSA-NInChI: InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1Synonyms: His | NSC 137773 | [3H]histidine | [3H]-histidine | amino-4-imidazoleproprionic acid | BDBM181118 | L-Histidin | L-be...
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SpermineCas#: 71-44-3 Compound CID: 1103Formula: C10H26N4 Molecular Weight: 202.34IUPAC Name: N,N'-bis(3-aminopropyl)butane-1,4-diamineSMILES: C(CCNCCCN)CNCCCNInChIKey: PFNFFQXMRSDOHW-UHFFFAOYSA-NInChI: InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2Synonyms: spermine|71-44-3|musculamine|neuridine|gerontine|Spermin|4,9-Diaza-1,12-dodecanediamine|N,N'-Bis(3-aminopropyl)-1,4-b...
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(S)-3-hydroxy-3-methylglutaryl-CoA, Inhibitor of hydroxymethylglutaryl-CoA synthase 1Cas#: 26926-09-0 Compound CID: 445127IUPAC Name: (3S)-5-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-3-hydroxy-3-methyl-5-oxopentanoic acidSMILES: O=C(NCCSC(=O)C[C@](CC(=O)O)(O)C)CCNC(=O)[C@@H](C(COP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O)(C)C)OInChIKey: CABVTRNMFUVUDM-VRHQGPGLSA-NInChI: InChI=1S/C27H44N7O20P3S/c1-26(2,21(40)24(41)30-5-4-15(35)29-6-7-58-17(38)9-27(3,42)8-16(36)37)11-51-57(48,49)54-56(46,47)50-10-14-20(53-55(43,44)45)19(39)25(52-14)34-13-33-18-22(28)31-12-32-23(18)34/h12-14,19-21,25,39-40,42H,4-11H2,1-3H3,(H,29,35)(H,30,41)(H,36,37)(H,46,47)(H,48,49)(H2,28,31,32)(H2,43,44,45)/t14-,19-,20-,21+,25-,27+/m1/s1Synonyms: S-(Hydrogen 3-hydroxy-3-methylglutaryl)coenzyme A | S-(Hydrogen 3-hydroxy-3-methylpentanedioate | SCHEMBL1198 | S-(Hy...
