Vitamins

Cas#: 59-30-3        Compound CID:  135398658

Formula:  C₁₉H₁₉N₇O₆        Molecular Weight: 441.4

IUPAC Name: (2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid

SMILES: C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)NC(=N3)N

InChIKey: OVBPIULPVIDEAO-LBPRGKRZSA-N

InChI: InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1

Cas#: 98-92-0        Compound CID:  936

Formula:  C₆H₆N₂O        Molecular Weight: 122.12

IUPAC Name: pyridine-3-carboxamide

SMILES: C1=CC(=CN=C1)C(=O)N

InChIKey: DFPAKSUCGFBDDF-UHFFFAOYSA-N

InChI: InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)

Cas#: 58-56-0        Compound CID:  6019

Formula:  C₈H₁₁NO₃·HCl        Molecular Weight: 205.64

IUPAC Name: 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride

SMILES: CC1=NC=C(C(=C1O)CO)CO.Cl

InChIKey: ZUFQODAHGAHPFQ-UHFFFAOYSA-N

InChI: InChI=1S/C8H11NO3.ClH/c1-5-8(12)7(4-11)6(3-10)2-9-5;/h2,10-12H,3-4H2,1H3;1H

Cas#: 9002-96-4       

Formula:  C₃₃H₅₄O₅.(C₂H₄O)_n       

Cas#: 130-40-5        Compound CID:  23666409

Formula:  C₁₇H₂₀N₄NaO₉P        Molecular Weight: 478.33

IUPAC Name: sodium;[(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] hydrogen phosphate

SMILES: CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)[O-])O)O)O.[Na+]

InChIKey: OHSHFZJLPYLRIP-BMZHGHOISA-M

InChI: InChI=1S/C17H21N4O9P.Na/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29;/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29);/q;+1/p-1/t11-,12+,14-;/m0./s1

Cas#: 59-30-3        Compound CID:  135398658

Formula:  C₁₉H₁₉N₇O₆        Molecular Weight: 441.4

IUPAC Name: (2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid

SMILES: C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)NC(=N3)N

InChIKey: OVBPIULPVIDEAO-LBPRGKRZSA-N

InChI: InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1

Cas#: 127-47-9        Compound CID:  638034

Formula:  C₂₂H₃₂O₂        Molecular Weight: 328.49

IUPAC Name: [(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] acetate

SMILES: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCOC(=O)C)C)C

InChIKey: QGNJRVVDBSJHIZ-QHLGVNSISA-N

InChI: InChI=1S/C22H32O2/c1-17(9-7-10-18(2)14-16-24-20(4)23)12-13-21-19(3)11-8-15-22(21,5)6/h7,9-10,12-14H,8,11,15-16H2,1-6H3/b10-7+,13-12+,17-9+,18-14+

Cas#: 137-66-6        Compound CID:  54680660

Formula:  C₂₂H₃₈O₇        Molecular Weight: 414.53

IUPAC Name: [(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] hexadecanoate

SMILES: CCCCCCCCCCCCCCCC(=O)OCC(C1C(=C(C(=O)O1)O)O)O

InChIKey: QAQJMLQRFWZOBN-LAUBAEHRSA-N

InChI: InChI=1S/C22H38O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(24)28-16-17(23)21-19(25)20(26)22(27)29-21/h17,21,23,25-26H,2-16H2,1H3/t17-,21+/m0/s1

Cas#: 67-03-8        Compound CID:  6202

Formula:  C₁₂H₁₈Cl₂N₄OS        Molecular Weight: 337.27

IUPAC Name: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride

SMILES: CC1=NC(N)=C(C[N+]2=CSC(CCO)=C2C)C=N1.Cl.[Cl-]

InChIKey: DPJRMOMPQZCRJU-UHFFFAOYSA-M

InChI: InChI=1S/C12H17N4OS.2ClH/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;;/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);2*1H/q+1;;/p-1

Cas#: 68-19-9        Compound CID:  5311498

Formula:  C₆₃H₈₈CoN₁₄O₁₄P        Molecular Weight: 1355.37

IUPAC Name: cobalt(3+);[(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R)-1-[3-[(1R,2R,3R,5Z,7S,10Z,12S,13S,15Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-24-id-3-yl]propanoylamino]propan-2-yl] phosphate;cyanide

SMILES: CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=C(C7=NC(=CC8=NC(=C(C4=N5)C)C(C8(C)C)CCC(=O)N)C(C7(C)CC(=O)N)CCC(=O)N)C)[N-]6)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+3]

InChIKey: FDJOLVPMNUYSCM-WZHZPDAFSA-L

InChI: InChI=1S/C62H90N13O14P.CN.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;/q;-1;+3/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1

Cas#: 59-67-6        Compound CID:  938

Formula:  C₆H₅NO₂        Molecular Weight: 123.11

IUPAC Name: pyridine-3-carboxylic acid

SMILES: C1=CC(=CN=C1)C(=O)O

InChIKey: PVNIIMVLHYAWGP-UHFFFAOYSA-N

InChI: InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)

Cas#: 58-95-7        Compound CID:  86472

Formula:  C₃₁H₅₂O₃        Molecular Weight: 472.74

IUPAC Name: [(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] acetate

SMILES: CC1=C(C(=C(C2=C1OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)C)OC(=O)C)C

InChIKey: ZAKOWWREFLAJOT-CEFNRUSXSA-N

InChI: InChI=1S/C31H52O3/c1-21(2)13-10-14-22(3)15-11-16-23(4)17-12-19-31(9)20-18-28-26(7)29(33-27(8)32)24(5)25(6)30(28)34-31/h21-23H,10-20H2,1-9H3/t22-,23-,31-/m1/s1