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Endogenous Metabolite
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Orotic Acid MonohydrateCas Number: 50887-69-9 EC Number: 200-619-8Formula: C5H4N2O4·H2O Molecular Weight: 174.11IUPAC Name: 2,4-dioxo-1H-pyrimidine-6-carboxylic acid;hydrateSMILES: C1=C(NC(=O)NC1=O)C(=O)O.OInChIKey: YXUZGLGRBBHYFZ-UHFFFAOYSA-NInChI: InChI=1S/C5H4N2O4.H2O/c8-3-1-2(4(9)10)6-5(11)7-3;/h1H,(H,9,10)(H2,6,7,8,11);1H2Synonyms: 2-methoxycarbonylamino-3-methylbutyric acid | Uracil-6-carboxylic acid monohydrate | Orotic acid monohydrate | UNII-9...
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Folinic acid, calcium salt pentahydrateCas Number: 6035-45-6Formula: C20H21CaN7O7.5H2O Molecular Weight: 601.59IUPAC Name: calcium;(2S)-2-[[4-[(2-amino-5-formyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioate;pentahydrateSMILES: C1C(N(C2=C(N1)N=C(NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)[O-])C(=O)[O-].O.O.O.O.O.[Ca+2]InChIKey: NPPBLUASYYNAIG-ZIGBGYJWSA-LInChI: show more
Synonyms: CALCII FOLINAS [WHO-IP LATIN] | 5H-Dibenz(b,f)azepine-5-propanamine, 10,11-dihydro-N,N,beta-trimethyl-, (+)-, (Z)-2-b... -
Folic acidCas Number: 59-30-3Formula: C19H19N7O6 Molecular Weight: 441.4IUPAC Name: (2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acidSMILES: C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)NC(=N3)NInChIKey: OVBPIULPVIDEAO-LBPRGKRZSA-NInChI: show more Synonyms: .beta.-D-Allopyranose, 1,6-anhydro-2,3-di-O-methyl-4-O-(phenylmethyl)- | CHEBI:27470 | DTXCID102519 | Foldine (France...
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Leflunomide, Dihydroorotate dehydrogenase inhibitorCas Number: 75706-12-6Formula: C12H9F3N2O2 Molecular Weight: 270.21IUPAC Name: 5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamideSMILES: CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)FInChIKey: VHOGYURTWQBHIL-UHFFFAOYSA-NInChI: InChI=1S/C12H9F3N2O2/c1-7-10(6-16-19-7)11(18)17-9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H,17,18)Synonyms: HWA486 | RS-34821 | L 5025 | leflunomide | SU 101 | UNII-G162GK9U4W | HMS2235C07 | HMS3371F21 | lefunamide | 5-Methyl...
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Folic acidCas Number: 59-30-3Formula: C19H19N7O6 Molecular Weight: 441.4IUPAC Name: (2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acidSMILES: C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)NC(=N3)NInChIKey: OVBPIULPVIDEAO-LBPRGKRZSA-NInChI: show more Synonyms: .beta.-D-Allopyranose, 1,6-anhydro-2,3-di-O-methyl-4-O-(phenylmethyl)- | CHEBI:27470 | DTXCID102519 | Foldine (France...
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LecithinCas Number: 8002-43-5 EC Number: 232-307-2Formula: C42H80NO8P Molecular Weight: 758.06IUPAC Name: [(2R)-3-hexadecanoyloxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphateSMILES: [P](=O)([O-])(OC[C@H](OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCCCCCCCCCCCCC)OCC[N+](C)(C)CInChIKey: JLPULHDHAOZNQI-ZTIMHPMXSA-NInChI: show more Synonyms: PC(16:0/18:2(9Z,12Z)) | [(2R)-3-hexadecanoyloxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] 2-(trimethylazaniumyl)et...
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LauraldehydeCas Number: 112-54-9 EC Number: 203-983-6Formula: C12H24O Molecular Weight: 184.32IUPAC Name: dodecanalSMILES: CCCCCCCCCCCC=OInChIKey: HFJRKMMYBMWEAD-UHFFFAOYSA-NInChI: InChI=1S/C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h12H,2-11H2,1H3Synonyms: Lauric aldehyde, analytical standard | NSC55212 | NSC-55212 | Lauric aldehyde, natural, >=95%, FG | C42O120SEF | LMFA...
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N-nervonoyl-1-deoxysphingosine (m18:1/24:1)Cas Number: 1246298-58-7 Compound CID: 73242201Formula: C42H81NO2 Molecular Weight: 632.098IUPAC Name: (Z)-N-[(E,2S,3R)-3-hydroxyoctadec-4-en-2-yl]tetracos-15-enamideSMILES: CCCCCCCCCCCCCC=CC(C(C)NC(=O)CCCCCCCCCCCCCC=CCCCCCCCC)OInChIKey: FZEIPTFJIHXKQL-OSHZVMBRSA-NInChI: show more Synonyms: N-(15Z-tetracosenoyl)-1-deoxysphing-4-enine (m18:1/24:1) N-C24:1-1-deoxyCer
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Folic acidCas Number: 59-30-3Formula: C19H19N7O6 Molecular Weight: 441.4IUPAC Name: (2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acidSMILES: C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)NC(=N3)NInChIKey: OVBPIULPVIDEAO-LBPRGKRZSA-NInChI: show more Synonyms: .beta.-D-Allopyranose, 1,6-anhydro-2,3-di-O-methyl-4-O-(phenylmethyl)- | CHEBI:27470 | DTXCID102519 | Foldine (France...
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N-heptadecanoyl-D-erythro-sphingosylphosphorylcholineCas Number: 121999-64-2 Compound CID: 46891763Formula: C40H81N2O6P Molecular Weight: 717.055IUPAC Name: [(E,2S,3R)-2-(heptadecanoylamino)-3-hydroxyoctadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphateSMILES: CCCCCCCCCCCCCCCCC(=O)NC(COP(=O)([O-])OCC[N+](C)(C)C)C(C=CCCCCCCCCCCCCC)OInChIKey: YMQZQHIESOAPQH-JXGHDCMNSA-NInChI: show more Synonyms: 121999-64-2|N-(heptadecanoyl)-sphing-4-enine-1-phosphocholine|SM(d18:1/17:0)|N-heptadecanoyl-D-erythro-sphingosylphos...
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N-acetoyl-D-erythro-sphinganineCas Number: 13031-64-6Formula: C20H41NO3 Molecular Weight: 343.544IUPAC Name: N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]acetamideSMILES: CCCCCCCCCCCCCCCC(C(CO)NC(=O)C)OInChIKey: CRJGESKKUOMBCT-VQTJNVASSA-NInChI: InChI=1S/C20H41NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(24)19(17-22)21-18(2)23/h19-20,22,24H,3-17H2,1-2H3,(H,21,23)/t19-,20+/m0/s1Synonyms: 2,2'-bis-(3,4-dicarboxyphenyl)hexafluoropropane dianhydride | Acetamide, N-(2-hydroxy-1-(hydroxymethyl)heptadecyl)-, ...
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3,4-Dihydroxybenzoic acidCas Number: 99-50-3 EC Number: 202-760-0Formula: C7H6O4 Molecular Weight: 154.12IUPAC Name: 3,4-dihydroxybenzoic acidSMILES: C1=CC(=C(C=C1C(=O)O)O)OInChIKey: YQUVCSBJEUQKSH-UHFFFAOYSA-NInChI: InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)Synonyms: AC-9617 | Carbohydroquinonic acid | DIHYDROXYBENZOIC ACID, 3,4- | Protocatechuic acid, primary pharmaceutical referen...
