Metabolites
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L-AsparagineCas#: 70-47-3 Compound CID: 6267Formula: C4H8N2O3 Molecular Weight: 132.12IUPAC Name: (2S)-2,4-diamino-4-oxobutanoic acidSMILES: C(C(C(=O)O)N)C(=O)NInChIKey: DCXYFEDJOCDNAF-REOHCLBHSA-NInChI: InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1Synonyms: aspartic acid beta-amide | EINECS 200-735-9 | L-asparagine | MFCD00064401 | Aspartamic acid | Aspartic acid b-amide |...
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(−)-RiboflavinCas#: 83-88-5 Compound CID: 493570Formula: C17H20N4O6 Molecular Weight: 376.36IUPAC Name: 7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dioneSMILES: CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)OInChIKey: AUNGANRZJHBGPY-SCRDCRAPSA-NInChI: InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1Synonyms: Q-200410 | Vitamin B2; E101 | 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo(g)pteridin-10(2H)-yl)-D-ribitol | Ri...
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HypoxanthineCas#: 68-94-0 Compound CID: 135398638Formula: C5H4N4O Molecular Weight: 136.11IUPAC Name: 1,7-dihydropurin-6-oneSMILES: C1=NC2=C(N1)C(=O)NC=N2InChIKey: FDGQSTZJBFJUBT-UHFFFAOYSA-NInChI: InChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)Synonyms: 3h-hypoxanthine | 6-Hydroxy-1H-purine | CAS-68-94-0 | Purin-6(1H)-one | 7H-Purin-6-ol | CS-W019808 | GTPL4555 | PDSP2...
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β-AlanineCas#: 107-95-9 Compound CID: 239Formula: C3H7NO2 Molecular Weight: 89.09IUPAC Name: 3-aminopropanoic acidSMILES: C(CN)C(=O)OInChIKey: UCMIRNVEIXFBKS-UHFFFAOYSA-NInChI: InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)Synonyms: ALANINE, BETA | Alanine, beta- | BETA ALANINE [USP-RS] | EC 203-536-5 | HY-N0230 | omega-Aminopropionate | Q310919 | ...
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BiotinCas#: 58-85-5 Compound CID: 171548Formula: C10H16N2O3S Molecular Weight: 244.31IUPAC Name: 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acidSMILES: [H][C@]12CS[C@@H](CCCCC(O)=O)[C@@]1([H])NC(=O)N2InChIKey: YBJHBAHKTGYVGT-ZKWXMUAHSA-NInChI: InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1Synonyms: 4bj8 | Acidum capobenicum [INN-Latin] | CHEBI:15956 | Hexahydro-2-oxo-1H-thieno(3,4-d)imidazole-4-pentanoic acid, (3a...
