| N5I | Name: | 1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)-5-NITRO-1H-INDOLE | Formula: | C13 H15 N2 O8 P | SMILES: | [O-][N+](=O)c2cc1ccn(c1cc2)C3OC(C(O)C3)COP(=O)(O)O | InChi: | InChI=1S/C13H15N2O8P/c16-11-6-13(23-12(11)7-22-24(19,20)21)14-4-3-8-5-9(15(17)18)1-2-10(8)14/h1-5,11-13,16H,6-7H2,(H2,19,20,21)/t11-,12+,13+/m0/s1 | Synonyms: | 5-NITRO-1-INDOLYL-2'-DEOXYRIBOSIDE-5'-MONOPHOSPHATE | Definition date: | 2007-03-21 | Last modified: | 2021-03-01 | Identifier: | 1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-5-nitro-1H-indole |
|
| N6M | Name: | N-METHYL-9H-PURIN-6-AMINE | Formula: | C6 H7 N5 | SMILES: | n2c1c(ncn1)c(nc2)NC | InChi: | InChI=1S/C6H7N5/c1-7-5-4-6(10-2-8-4)11-3-9-5/h2-3H,1H3,(H2,7,8,9,10,11) | Synonyms: | N6-METHYL ADENINE | Definition date: | 2010-08-09 | Last modified: | 2021-03-01 | Identifier: | N-methyl-9H-purin-6-amine |
|
| N7I | Name: | 4-[(1E)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenol | Formula: | C10 H12 O3 | SMILES: | Oc1ccc(cc1OC)/C=C/CO | InChi: | InChI=1S/C10H12O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-5,7,11-12H,6H2,1H3/b3-2+ | Synonyms: | Coniferyl alcohol | Definition date: | 2010-06-02 | Last modified: | 2021-03-01 | Release date: | 2012-08-24 | Identifier: | 4-[(1E)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenol |
|
| N7P | Name: | 1-ACETYL-L-PROLINE | Formula: | C7 H11 N O3 | SMILES: | OC(=O)C1N(C(=O)C)CCC1 | InChi: | InChI=1S/C7H11NO3/c1-5(9)8-4-2-3-6(8)7(10)11/h6H,2-4H2,1H3,(H,10,11)/t6-/m0/s1 | Synonyms: | N-ACETYLPROLINE | Definition date: | 2003-02-21 | Last modified: | 2021-03-01 | Identifier: | 1-acetyl-L-proline |
|
| NAI | Name: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE | Formula: | C21 H29 N7 O14 P2 | SMILES: | NC(=O)C1=CN(C=CC1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O | InChi: | InChI=1S/C21H29N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1,3-4,7-8,10-11,13-16,20-21,29-32H,2,5-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 | Synonyms: | NADH | Definition date: | 1999-12-13 | Last modified: | 2021-03-01 | Identifier: | [[(2R,3S,4R,5R)-5-(3-aminocarbonyl-4H-pyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate |
|
| NC3 | Name: | N-[(CYCLOHEXYLAMINO)CARBONYL]GLYCINE | Formula: | C9 H16 N2 O3 | SMILES: | O=C(NC1CCCCC1)NCC(=O)O | InChi: | InChI=1S/C9H16N2O3/c12-8(13)6-10-9(14)11-7-4-2-1-3-5-7/h7H,1-6H2,(H,12,13)(H2,10,11,14) | Synonyms: | 4-(3-CYCLOHEXYLURIEDO)-ETHANOIC ACID | Definition date: | 2005-04-21 | Last modified: | 2021-03-01 | Identifier: | N-(cyclohexylcarbamoyl)glycine |
|
| NC4 | Name: | 4-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}BUTANOIC ACID | Formula: | C11 H20 N2 O3 | SMILES: | O=C(NC1CCCCC1)NCCCC(=O)O | InChi: | InChI=1S/C11H20N2O3/c14-10(15)7-4-8-12-11(16)13-9-5-2-1-3-6-9/h9H,1-8H2,(H,14,15)(H2,12,13,16) | Synonyms: | 4-(3-CYCLOHEXYLURIEDO)-BUTYRIC ACID | Definition date: | 2005-04-21 | Last modified: | 2021-03-01 | Identifier: | 4-[(cyclohexylcarbamoyl)amino]butanoic acid |
|
| NC6 | Name: | 6-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}HEXANOIC ACID | Formula: | C13 H24 N2 O3 | SMILES: | O=C(NC1CCCCC1)NCCCCCC(=O)O | InChi: | InChI=1S/C13H24N2O3/c16-12(17)9-5-2-6-10-14-13(18)15-11-7-3-1-4-8-11/h11H,1-10H2,(H,16,17)(H2,14,15,18) | Synonyms: | 4-(3-CYCLOHEXYLURIEDO)-HEXANOIC ACID | Definition date: | 2005-04-21 | Last modified: | 2021-03-01 | Identifier: | 6-[(cyclohexylcarbamoyl)amino]hexanoic acid |
|
| NDE | Name: | ADENOSINE 5'-(TRIHYDROGEN DIPHOSPHATE) P'-5'-ESTER WITH 3-(AMINOCARBONYL)-4-(1-HYDROXYL-2-OXO-3-PHOSPHONOOXY-PROPYL)-1-BETA-D-RIBOFURANOSYLPYRIDINIUM INNER SALT | Formula: | C24 H32 N7 O20 P3 | SMILES: | NC(=O)c1c[n+](ccc1[CH](O)C(=O)CO[P](O)(O)=O)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O | InChi: | InChI=1S/C24H32N7O20P3/c25-20-14-22(28-7-27-20)31(8-29-14)24-19(37)17(35)13(50-24)6-48-54(44,45)51-53(42,43)47-5-12-16(34)18(36)23(49-12)30-2-1-9(10(3-30)21(26)38)15(33)11(32)4-46-52(39,40)41/h1-3,7-8,12-13,15-19,23-24,33-37H,4-6H2,(H7-,25,26,27,28,38,39,40,41,42,43,44,45)/t12-,13-,15?,16-,17-,18-,19-,23-,24-/m1/s1 | Synonyms: | NAD WITH (1-HYDROXYL-2-OXO-3-PHOSPHONOOXY-PROPANE) | Definition date: | 2002-11-11 | Last modified: | 2021-03-01 | Identifier: | [(2R,3S,4R,5R)-5-[3-aminocarbonyl-4-[(1R)-1-hydroxy-2-oxo-3-phosphonooxy-propyl]pyridin-1-ium-1-yl]-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphate |
|
| OOC | Name: | octyl 4-O-beta-D-allopyranosyl-1-thio-beta-D-altropyranoside | Formula: | C20 H38 O10 S | SMILES: | S(CCCCCCCC)C2OC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO | InChi: | InChI=1S/C20H38O10S/c1-2-3-4-5-6-7-8-31-20-17(27)15(25)18(12(10-22)29-20)30-19-16(26)14(24)13(23)11(9-21)28-19/h11-27H,2-10H2,1H3/t11-,12-,13-,14-,15+,16-,17+,18-,19+,20+/m1/s1 | Synonyms: | N-BETA-OCTYL-THIO-MALTOSIDE | Definition date: | 2014-04-16 | Last modified: | 2021-03-01 | Release date: | 2014-12-17 | Identifier: | octyl 4-O-beta-D-allopyranosyl-1-thio-beta-D-altropyranoside |
|
| OPB | Name: | 4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE-3,5-DIONE | Formula: | C19 H20 N2 O3 | SMILES: | O=C2N(c1ccc(O)cc1)N(C(=O)C2CCCC)c3ccccc3 | InChi: | InChI=1S/C19H20N2O3/c1-2-3-9-17-18(23)20(14-7-5-4-6-8-14)21(19(17)24)15-10-12-16(22)13-11-15/h4-8,10-13,17,22H,2-3,9H2,1H3/t17-/m0/s1 | Synonyms: | OXYPHENBUTAZONE | Definition date: | 2003-08-19 | Last modified: | 2021-03-01 | Identifier: | (4S)-4-butyl-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione |
|
| OPC | Name: | (7R,17E)-4-HYDROXY-N,N,N,7-TETRAMETHYL-7-[(8E)-OCTADEC-8-ENOYLOXY]-10-OXO-3,5,9-TRIOXA-4-PHOSPHAHEPTACOS-17-EN-1-AMINIUM 4-OXIDE | Formula: | C45 H87 N O8 P | SMILES: | O=C(OC(COP(=O)(OCC[N+](C)(C)C)O)(C)COC(=O)CCCCCCC=C/CCCCCCCCC)CCCCCC/C=C/CCCCCCCCC | InChi: | InChI=1S/C45H86NO8P/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-43(47)51-41-45(3,42-53-55(49,50)52-40-39-46(4,5)6)54-44(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h23-26H,7-22,27-42H2,1-6H3/p+1/b25-23-,26-24+/t45-/m1/s1 | Synonyms: | DIOLEOYL-PHOSPHATIDYLCHOLINE | Definition date: | 2003-10-02 | Last modified: | 2021-03-01 | Identifier: | (4S,7R,17Z)-4-hydroxy-N,N,N,7-tetramethyl-7-[(8E)-octadec-8-enoyloxy]-10-oxo-3,5,9-trioxa-4-phosphaheptacos-17-en-1-aminium 4-oxide |
|
| OPE | Name: | PHOSPHORIC ACID MONO-(2-AMINO-ETHYL) ESTER | Formula: | C2 H8 N O4 P | SMILES: | O=P(O)(O)OCCN | InChi: | InChI=1S/C2H8NO4P/c3-1-2-7-8(4,5)6/h1-3H2,(H2,4,5,6) | Synonyms: | COLAMINE PHOSPHORIC ACID | Definition date: | 1999-07-08 | Last modified: | 2021-03-01 | Identifier: | 2-aminoethyl dihydrogen phosphate |
|
| 61T | Name: | [(1~{R},2~{R},3~{S},4~{R})-2,3-bis(oxidanyl)-4-[[2-[3-(trifluoromethylsulfanyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclopentyl]methyl sulfamate | Formula: | C19 H20 F3 N5 O5 S2 | SMILES: | N[S](=O)(=O)OC[CH]1C[CH](Nc2ccnc3cc(nn23)c4cccc(SC(F)(F)F)c4)[CH](O)[CH]1O | InChi: | InChI=1S/C19H20F3N5O5S2/c20-19(21,22)33-12-3-1-2-10(6-12)13-8-16-24-5-4-15(27(16)26-13)25-14-7-11(17(28)18(14)29)9-32-34(23,30)31/h1-6,8,11,14,17-18,25,28-29H,7,9H2,(H2,23,30,31)/t11-,14-,17-,18+/m1/s1 | Synonyms: | MLN7243 | Definition date: | 2016-01-14 | Last modified: | 2021-03-01 | Release date: | 2017-06-14 | Identifier: | [(1~{R},2~{R},3~{S},4~{R})-2,3-bis(oxidanyl)-4-[[2-[3-(trifluoromethylsulfanyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclopentyl]methyl sulfamate |
|
| 629 | Name: | [2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]-(1,3,4,5-TETRAHYDROXY-4-HYDROXYMETHYL-PIPERIDIN-2-YL)- ACETIC ACID | Formula: | C17 H25 N3 O9 | SMILES: | O=C(O)C(NC(=O)C(N)Cc1ccc(O)cc1)C2N(O)CC(O)C(O)(C2O)CO | InChi: | InChI=1S/C17H25N3O9/c18-10(5-8-1-3-9(22)4-2-8)15(25)19-12(16(26)27)13-14(24)17(28,7-21)11(23)6-20(13)29/h1-4,10-14,21-24,28-29H,5-7,18H2,(H,19,25)(H,26,27)/t10-,11-,12-,13-,14-,17-/m0/s1 | Synonyms: | SB-239629 | Definition date: | 2001-07-05 | Last modified: | 2021-03-01 | Identifier: | (2S)-[(2S,3S,4S,5S)-1,3,4,5-tetrahydroxy-4-(hydroxymethyl)piperidin-2-yl](L-tyrosylamino)ethanoic acid |
|
| ORI | Name: | 4-[(E)-(4-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonic acid | Formula: | C16 H12 N2 O4 S | SMILES: | O=S(=O)(O)c3ccc(/N=N/c2c1ccccc1c(O)cc2)cc3 | InChi: | InChI=1S/C16H12N2O4S/c19-16-10-9-15(13-3-1-2-4-14(13)16)18-17-11-5-7-12(8-6-11)23(20,21)22/h1-10,19H,(H,20,21,22)/b18-17+ | Synonyms: | Orange I | Definition date: | 2013-03-12 | Last modified: | 2021-03-01 | Release date: | 2014-02-12 | Identifier: | 4-[(E)-(4-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonic acid |
|
| 64U | Name: | 3-cyclohexyl-D-alanyl-N-(3-chlorobenzyl)-L-prolinamide | Formula: | C21 H30 Cl N3 O2 | SMILES: | O=C(NCc1cccc(Cl)c1)C3N(C(=O)C(N)CC2CCCCC2)CCC3 | InChi: | InChI=1S/C21H30ClN3O2/c22-17-9-4-8-16(12-17)14-24-20(26)19-10-5-11-25(19)21(27)18(23)13-15-6-2-1-3-7-15/h4,8-9,12,15,18-19H,1-3,5-7,10-11,13-14,23H2,(H,24,26)/t18-,19+/m1/s1 | Synonyms: | (2S)-1-((2R)-2-amino-3-cyclohexyl-propanoyl)-N-((3-chlorophenyl)methyl)pyrrolidine-2-carboxamide | Definition date: | 2008-07-23 | Last modified: | 2021-03-01 | Identifier: | 3-cyclohexyl-D-alanyl-N-(3-chlorobenzyl)-L-prolinamide |
|
| 655 | Name: | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-6-(CYCLOPENTYLOXY)BENZENOLATE | Formula: | C19 H20 N4 O2 | SMILES: | [O-]c4c(OC1CCCC1)cccc4c3nc2cc(ccc2n3)C(=[NH2+])N | InChi: | InChI=1S/C19H20N4O2/c20-18(21)11-8-9-14-15(10-11)23-19(22-14)13-6-3-7-16(17(13)24)25-12-4-1-2-5-12/h3,6-10,12,24H,1-2,4-5H2,(H3,20,21)(H,22,23) | Synonyms: | CRA_10655 | Definition date: | 2003-03-14 | Last modified: | 2021-03-01 | Identifier: | 2-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}-6-(cyclopentyloxy)phenolate |
|
| 656 | Name: | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-6-ISOBUTOXYBENZENOLATE | Formula: | C18 H20 N4 O2 | SMILES: | [O-]c3c(OCC(C)C)cccc3c2nc1cc(ccc1n2)C(=[NH2+])N | InChi: | InChI=1S/C18H20N4O2/c1-10(2)9-24-15-5-3-4-12(16(15)23)18-21-13-7-6-11(17(19)20)8-14(13)22-18/h3-8,10,23H,9H2,1-2H3,(H3,19,20)(H,21,22) | Synonyms: | CRA_10656 | Definition date: | 2003-03-14 | Last modified: | 2021-03-01 | Identifier: | 2-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}-6-(2-methylpropoxy)phenolate |
|
| OTP | Name: | (2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-2,6,10,14,18,22,26,30-OCTAENYL TRIHYDROGEN DIPHOSPHATE | Formula: | C40 H68 O7 P2 | SMILES: | O=P(O)(O)OP(=O)(O)OC/C=C(/CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)C)C | InChi: | InChI=1S/C40H68O7P2/c1-33(2)17-10-18-34(3)19-11-20-35(4)21-12-22-36(5)23-13-24-37(6)25-14-26-38(7)27-15-28-39(8)29-16-30-40(9)31-32-46-49(44,45)47-48(41,42)43/h17,19,21,23,25,27,29,31H,10-16,18,20,22,24,26,28,30,32H2,1-9H3,(H,44,45)(H2,41,42,43)/b34-19+,35-21+,36-23+,37-25+,38-27+,39-29+,40-31+ | Synonyms: | OCTAPRENYL PYROPHOSPHATE | Definition date: | 2004-12-06 | Last modified: | 2021-03-01 | Identifier: | (2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl trihydrogen diphosphate |
|
| OTR | Name: | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL | Formula: | C8 H11 N O2 | SMILES: | OC(c1ccc(O)cc1)CN | InChi: | InChI=1S/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2/t8-/m0/s1 | Synonyms: | R-OCTOPAMINE | Definition date: | 2003-11-12 | Last modified: | 2021-03-01 | Identifier: | 4-[(1R)-2-amino-1-hydroxyethyl]phenol |
|
| OTS | Name: | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | Formula: | C8 H11 N O2 | SMILES: | OC(c1ccc(O)cc1)CN | InChi: | InChI=1S/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2/t8-/m1/s1 | Synonyms: | S-OCTOPAMINE | Definition date: | 2003-11-12 | Last modified: | 2021-03-01 | Identifier: | 4-[(1S)-2-amino-1-hydroxyethyl]phenol |
|
| 65D | Name: | octyl 3,4,5-trihydroxybenzoate | Formula: | C15 H22 O5 | SMILES: | Oc1c(O)cc(C(OCCCCCCCC)=O)cc1O | InChi: | InChI=1S/C15H22O5/c1-2-3-4-5-6-7-8-20-15(19)11-9-12(16)14(18)13(17)10-11/h9-10,16-18H,2-8H2,1H3 | Synonyms: | Octyl gallate | Definition date: | 2016-01-27 | Last modified: | 2021-03-01 | Release date: | 2017-01-25 | Identifier: | octyl 3,4,5-trihydroxybenzoate |
|
| 660 | Name: | [[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-[[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]methyl]phosphinic acid | Formula: | C16 H26 N2 O16 P2 | SMILES: | OC[CH]1O[CH](C[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH](O)[CH](O)[CH]1O | InChi: | InChI=1S/C16H26N2O16P2/c19-3-6-10(21)13(24)12(23)8(32-6)5-35(27,28)34-36(29,30)31-4-7-11(22)14(25)15(33-7)18-2-1-9(20)17-16(18)26/h1-2,6-8,10-15,19,21-25H,3-5H2,(H,27,28)(H,29,30)(H,17,20,26)/t6-,7-,8-,10-,11-,12+,13+,14-,15-/m1/s1 | Synonyms: | UDP-glucose phosphonate | Definition date: | 2016-02-02 | Last modified: | 2021-03-01 | Release date: | 2016-03-09 | Identifier: | [[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-[[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]methyl]phosphinic acid |
|
| 66P | Name: | 4-[(4-aminocyclohexyl)amino]-3-(1H-benzimidazol-2-yl)-1H-pyridin-2-one | Formula: | C18 H21 N5 O | SMILES: | C=1(C=CNC(=O)C=1c2nc3c(n2)cccc3)NC4CCC(CC4)N | InChi: | InChI=1S/C18H21N5O/c19-11-5-7-12(8-6-11)21-15-9-10-20-18(24)16(15)17-22-13-3-1-2-4-14(13)23-17/h1-4,9-12H,5-8,19H2,(H,22,23)(H2,20,21,24)/t11-,12+ | Synonyms: | 4-[(cis-4-aminocyclohexyl)amino]-3-(1H-benzimidazol-2-yl)pyridin-2(1H)-one | Definition date: | 2016-02-04 | Last modified: | 2021-03-01 | Release date: | 2016-03-16 | Identifier: | 4-[(cis-4-aminocyclohexyl)amino]-3-(1H-benzimidazol-2-yl)pyridin-2(1H)-one |
|