 | | SRZ | | Name: | PROPOXY-L-SERINE | | Formula: | C6 H13 N O4 | | SMILES: | O=C(O)C(N)COCCCO | | InChi: | InChI=1S/C6H13NO4/c7-5(6(9)10)4-11-3-1-2-8/h5,8H,1-4,7H2,(H,9,10)/t5-/m0/s1 | | Definition date: | 2013-11-05 | | Last modified: | 2023-11-03 | | Release date: | 2013-12-04 | | Identifier: | O-(3-hydroxypropyl)-L-serine |
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 | | STA | | Name: | STATINE | | Formula: | C8 H17 N O3 | | SMILES: | O=C(O)CC(O)C(N)CC(C)C | | InChi: | InChI=1S/C8H17NO3/c1-5(2)3-6(9)7(10)4-8(11)12/h5-7,10H,3-4,9H2,1-2H3,(H,11,12)/t6-,7-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2023-11-03 | | Identifier: | (3S,4S)-4-amino-3-hydroxy-6-methylheptanoic acid |
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 | | G5G | | Name: | (2S,4S)-2-amino-4,5-dihydroxy-4-methylpentanoic acid | | Formula: | C6 H13 N O4 | | SMILES: | C(CC(N)C(O)=O)(CO)(C)O | | InChi: | InChI=1S/C6H13NO4/c1-6(11,3-8)2-4(7)5(9)10/h4,8,11H,2-3,7H2,1H3,(H,9,10)/t4-,6-/m0/s1 | | Definition date: | 2018-05-04 | | Last modified: | 2023-11-03 | | Release date: | 2018-09-19 | | Identifier: | (2S,4S)-2-amino-4,5-dihydroxy-4-methylpentanoic acid (non-preferred name) |
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 | | SUI | | Name: | (3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACID | | Formula: | C6 H8 N2 O4 | | SMILES: | O=C1N(C(=O)CC1N)CC(=O)O | | InChi: | InChI=1S/C6H8N2O4/c7-3-1-4(9)8(6(3)12)2-5(10)11/h3H,1-2,7H2,(H,10,11)/t3-/m0/s1 | | Definition date: | 2001-08-20 | | Last modified: | 2023-11-03 | | Identifier: | [(3S)-3-amino-2,5-dioxopyrrolidin-1-yl]acetic acid |
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 | | SUJ | | Name: | (2R,3R)-2-[(3S,6R)-3-AMINO-6-HYDROXY-2-OXOPIPERIDINYL]-3-HYDROXYBUTANOIC ACID | | Formula: | C9 H16 N2 O5 | | SMILES: | O=C(O)C(N1C(=O)C(N)CCC1O)C(O)C | | InChi: | InChI=1S/C9H16N2O5/c1-4(12)7(9(15)16)11-6(13)3-2-5(10)8(11)14/h4-7,12-13H,2-3,10H2,1H3,(H,15,16)/t4-,5+,6-,7+/m1/s1 | | Definition date: | 2003-07-31 | | Last modified: | 2023-11-03 | | Identifier: | (2S,3R)-2-[(3S,6R)-3-amino-6-hydroxy-2-oxopiperidin-1-yl]-3-hydroxybutanoic acid |
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 | | SVA | | Name: | SERINE VANADATE | | Formula: | C3 H7 N O7 V | | SMILES: | [O-][V]([O-])([O-])(O)OCC(N)C(=O)O | | InChi: | InChI=1S/C3H6NO3.H2O.3O.V/c4-2(1-5)3(6)7 | | Definition date: | 1999-07-08 | | Last modified: | 2023-11-03 | | Identifier: | For multi-component charged structures, a total zero charge is required! |
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 | | SWG | | Name: | 2-[(4Z)-2-[(1R)-1-amino-2-hydroxy-ethyl]-4-(1H-indol-3-ylmethylidene)-5-oxo-imidazol-1-yl]ethanoic acid | | Formula: | C16 H16 N4 O4 | | SMILES: | N[CH](CO)C1=NC(=Cc2c[nH]c3ccccc23)C(=O)N1CC(O)=O | | InChi: | InChI=1S/C16H16N4O4/c17-11(8-21)15-19-13(16(24)20(15)7-14(22)23)5-9-6-18-12-4-2-1-3-10(9)12/h1-6,11,18,21H,7-8,17H2,(H,22,23)/b13-5-/t11-/m0/s1 | | Definition date: | 2011-03-25 | | Last modified: | 2023-11-03 | | Identifier: | 2-[(4Z)-2-[(1R)-1-amino-2-hydroxy-ethyl]-4-(1H-indol-3-ylmethylidene)-5-oxo-imidazol-1-yl]ethanoic acid |
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 | | SWW | | Name: | (2~{S})-2-azanyl-3-(2-hydroxyethylsulfanyl)propanoic acid | | Formula: | C5 H11 N O3 S | | SMILES: | N[CH](CSCCO)C(O)=O | | InChi: | InChI=1S/C5H11NO3S/c6-4(5(8)9)3-10-2-1-7/h4,7H,1-3,6H2,(H,8,9)/t4-/m1/s1 | | Synonyms: | S-(2-hydroxyethyl)-D-cysteine | | Definition date: | 2020-12-02 | | Last modified: | 2023-11-03 | | Release date: | 2022-01-12 | | Identifier: | (2~{S})-2-azanyl-3-(2-hydroxyethylsulfanyl)propanoic acid |
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 | | G8X | | Name: | (2~{S},3~{R})-3-oxidanylpyrrolidine-2-carboxylic acid | | Formula: | C5 H9 N O3 | | SMILES: | O[CH]1CCN[CH]1C(O)=O | | InChi: | InChI=1S/C5H9NO3/c7-3-1-2-6-4(3)5(8)9/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1 | | Definition date: | 2020-08-06 | | Last modified: | 2023-11-03 | | Release date: | 2021-06-16 | | Identifier: | (2~{S},3~{R})-3-oxidanylpyrrolidine-2-carboxylic acid |
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 | | SYS | | Name: | 3-[(2-amino-2-oxoethyl)selanyl]-L-alanine | | Formula: | C5 H10 N2 O3 Se | | SMILES: | O=C(O)C(N)C[Se]CC(=O)N | | InChi: | InChI=1S/C5H10N2O3Se/c6-3(5(9)10)1-11-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1 | | Synonyms: | L-(Se-carboxamidomethyl)selenocysteine | | Definition date: | 2008-09-17 | | Last modified: | 2023-11-03 | | Identifier: | 3-[(2-amino-2-oxoethyl)selanyl]-L-alanine |
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 | | GAU | | Name: | (4S)-4-AMINO-5-HYDROXYPENTANOIC ACID | | Formula: | C5 H11 N O3 | | SMILES: | O=C(O)CCC(N)CO | | InChi: | InChI=1S/C5H11NO3/c6-4(3-7)1-2-5(8)9/h4,7H,1-3,6H2,(H,8,9)/t4-/m0/s1 | | Synonyms: | L-GLUTAMOL | | Definition date: | 2005-06-02 | | Last modified: | 2023-11-03 | | Identifier: | (4S)-4-amino-5-hydroxypentanoic acid |
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 | | SZF | | Name: | 1-methoxy-N-methyl-L-tryptophan | | Formula: | C13 H16 N2 O3 | | SMILES: | O=C(O)C(NC)Cc1cn(OC)c2ccccc21 | | InChi: | InChI=1S/C13H16N2O3/c1-14-11(13(16)17)7-9-8-15(18-2)12-6-4-3-5-10(9)12/h3-6,8,11,14H,7H2,1-2H3,(H,16,17)/t11-/m0/s1 | | Definition date: | 2022-07-13 | | Last modified: | 2023-11-03 | | Release date: | 2023-05-24 | | Identifier: | 1-methoxy-N-methyl-L-tryptophan |
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 | | SZR | | Name: | (2R)-4-cyano-2-hydroxybutanoic acid | | Formula: | C5 H7 N O3 | | SMILES: | O=C(O)C(O)CCC#N | | InChi: | InChI=1S/C5H7NO3/c6-3-1-2-4(7)5(8)9/h4,7H,1-2H2,(H,8,9)/t4-/m1/s1 | | Definition date: | 2022-07-13 | | Last modified: | 2023-11-03 | | Release date: | 2023-05-24 | | Identifier: | (2R)-4-cyano-2-hydroxybutanoic acid |
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 | | T09 | | Name: | (2S,4R)-2-amino-4-methyloctanoic acid | | Formula: | C9 H19 N O2 | | SMILES: | NC(CC(C)CCCC)C(=O)O | | InChi: | InChI=1S/C9H19NO2/c1-3-4-5-7(2)6-8(10)9(11)12/h7-8H,3-6,10H2,1-2H3,(H,11,12)/t7-,8+/m1/s1 | | Definition date: | 2022-07-13 | | Last modified: | 2023-11-03 | | Release date: | 2023-05-24 | | Identifier: | (2S,4R)-2-amino-4-methyloctanoic acid |
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 | | T17 | | Name: | {[4-(1-{3-[(3aS,4R,7R,9R,10R,11R,13R,15R,15aR)-10-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxododecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-1(4H)-yl]propyl}-1H-1,2,3-triazol-4-yl)butanoyl]amino}acetic acid | | Formula: | C42 H68 N6 O13 | | SMILES: | O=C(O)CNC(=O)CCCc1nnn(c1)CCCN3C(=O)OC4(C(OC(=O)C(C(=O)C(C(OC2OC(C)CC(N(C)C)C2O)C(OC)(C)CC(C(=O)C(C)C34)C)C)C)CC)C | | InChi: | InChI=1S/C42H68N6O13/c1-12-30-42(8)36(48(40(56)61-42)18-14-17-47-22-28(44-45-47)15-13-16-31(49)43-21-32(50)51)25(4)33(52)23(2)20-41(7,57-11)37(26(5)34(53)27(6)38(55)59-30)60-39-35(54)29(46(9)10)19-24(3)58-39/h22-27,29-30,35-37,39,54H,12-21H2,1-11H3,(H,43,49)(H,50,51)/t23-,24-,25+,26+,27-,29+,30-,35-,36-,37-,39+,41-,42-/m1/s1 | | Definition date: | 2014-05-10 | | Last modified: | 2023-11-03 | | Release date: | 2014-10-01 | | Identifier: | {[4-(1-{3-[(3aS,4R,7R,9R,10R,11R,13R,15R,15aR)-10-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxododecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-1(4H)-yl]propyl}-1H-1,2,3-triazol-4-yl)butanoyl]amino}acetic acid (non-preferred name) |
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 | | T1F | | Name: | (4R)-1-[1-[(S)-[1-cyclopentyl-3-(2-methylphenyl)pyrazol-4-yl]-(4-methylphenyl)methyl]-2-oxidanylidene-pyridin-3-yl]-3-methyl-2-oxidanylidene-N-(3-oxidanylidene-2-azabicyclo[2.2.2]octan-4-yl)imidazolidine-4-carboxamide | | Formula: | C40 H45 N7 O4 | | SMILES: | CN1[CH](CN(C1=O)C2=CC=CN([CH](c3ccc(C)cc3)c4cn(nc4c5ccccc5C)C6CCCC6)C2=O)C(=O)NC78CCC(CC7)NC8=O | | InChi: | InChI=1S/C40H45N7O4/c1-25-14-16-27(17-15-25)35(31-23-47(29-10-5-6-11-29)43-34(31)30-12-7-4-9-26(30)2)45-22-8-13-32(37(45)49)46-24-33(44(3)39(46)51)36(48)42-40-20-18-28(19-21-40)41-38(40)50/h4,7-9,12-17,22-23,28-29,33,35H,5-6,10-11,18-21,24H2,1-3H3,(H,41,50)(H,42,48)/t28-,33-,35+,40-/m1/s1 | | Definition date: | 2023-04-19 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4~{R})-1-[1-[(~{S})-[1-cyclopentyl-3-(2-methylphenyl)pyrazol-4-yl]-(4-methylphenyl)methyl]-2-oxidanylidene-pyridin-3-yl]-3-methyl-2-oxidanylidene-~{N}-(3-oxidanylidene-2-azabicyclo[2.2.2]octan-4-yl)imidazolidine-4-carboxamide |
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 | | T2X | | Name: | (2R)-2-hydroxy-5-methylhexanoic acid | | Formula: | C7 H14 O3 | | SMILES: | CC(C)CCC(O)C(O)=O | | InChi: | InChI=1S/C7H14O3/c1-5(2)3-4-6(8)7(9)10/h5-6,8H,3-4H2,1-2H3,(H,9,10)/t6-/m1/s1 | | Definition date: | 2022-07-15 | | Last modified: | 2023-11-03 | | Release date: | 2023-05-24 | | Identifier: | (2R)-2-hydroxy-5-methylhexanoic acid |
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 | | T3 | | Name: | 3,5,3'TRIIODOTHYRONINE | | Formula: | C15 H12 I3 N O4 | | SMILES: | O=C(O)C(N)Cc2cc(I)c(Oc1cc(I)c(O)cc1)c(I)c2 | | InChi: | InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1 | | Synonyms: | T3 | | Definition date: | 1999-07-12 | | Last modified: | 2023-11-03 | | Identifier: | O-(4-hydroxy-3-iodophenyl)-3,5-diiodo-L-tyrosine |
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 | | T3R | | Name: | N,5-dimethyl-L-norleucine | | Formula: | C8 H17 N O2 | | SMILES: | CNC(CCC(C)C)C(=O)O | | InChi: | InChI=1S/C8H17NO2/c1-6(2)4-5-7(9-3)8(10)11/h6-7,9H,4-5H2,1-3H3,(H,10,11)/t7-/m0/s1 | | Definition date: | 2022-07-15 | | Last modified: | 2023-11-03 | | Release date: | 2023-05-24 | | Identifier: | N,5-dimethyl-L-norleucine |
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 | | T44 | | Name: | 3,5,3',5'-TETRAIODO-L-THYRONINE | | Formula: | C15 H11 I4 N O4 | | SMILES: | O=C(O)C(N)Cc2cc(I)c(Oc1cc(I)c(O)c(I)c1)c(I)c2 | | InChi: | InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2023-11-03 | | Identifier: | O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-L-tyrosine |
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 | | GG7 | | Name: | [(1R)-1-AMINOETHYL]PHOSPHONIC ACID | | Formula: | C2 H8 N O3 P | | SMILES: | O=P(O)(O)C(N)C | | InChi: | InChI=1S/C2H8NO3P/c1-2(3)7(4,5)6/h2H,3H2,1H3,(H2,4,5,6)/t2-/m1/s1 | | Definition date: | 2007-04-13 | | Last modified: | 2023-11-03 | | Identifier: | [(1R)-1-aminoethyl]phosphonic acid |
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 | | GGB | | Name: | L-CANAVANINE | | Formula: | C5 H12 N4 O3 | | SMILES: | O=C(O)C(N)CCONC(=[N@H])N | | InChi: | InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-12-9-5(7)8/h3H,1-2,6H2,(H,10,11)(H4,7,8,9)/t3-/m0/s1 | | Synonyms: | L-2-AMINO-4-(GUANIDINOOXY)BUTYRIC ACID | | Definition date: | 1999-07-27 | | Last modified: | 2023-11-03 | | Identifier: | O-carbamimidamido-L-homoserine |
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 | | T69 | | Name: | (2E)-3-{(2R,4S)-2-[(2S,3S,5S,7S)-3,7-dihydroxy-5,8,8-trimethylnonan-2-yl]-1,3-thiazolidin-4-yl}-2-methylprop-2-enoic acid | | Formula: | C19 H35 N O4 S | | SMILES: | CC(=C/C1NC(SC1)C(C)C(O)CC(C)CC(O)C(C)(C)C)C(=O)O | | InChi: | InChI=1S/C19H35NO4S/c1-11(8-16(22)19(4,5)6)7-15(21)13(3)17-20-14(10-25-17)9-12(2)18(23)24/h9,11,13-17,20-22H,7-8,10H2,1-6H3,(H,23,24)/b12-9+/t11-,13-,14-,15-,16-,17+/m0/s1 | | Definition date: | 2022-07-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-05-24 | | Identifier: | (2E)-3-{(2R,4S)-2-[(2S,3S,5S,7S)-3,7-dihydroxy-5,8,8-trimethylnonan-2-yl]-1,3-thiazolidin-4-yl}-2-methylprop-2-enoic acid |
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 | | C4G | | Name: | N~5~-[N-(3-aminopropyl)carbamimidoyl]-L-ornithine | | Formula: | C9 H21 N5 O2 | | SMILES: | NC(C(O)=O)CCCNC(=N)NCCCN | | InChi: | InChI=1S/C9H21N5O2/c10-4-2-6-14-9(12)13-5-1-3-7(11)8(15)16/h7H,1-6,10-11H2,(H,15,16)(H3,12,13,14)/t7-/m0/s1 | | Definition date: | 2017-09-13 | | Last modified: | 2023-11-03 | | Release date: | 2017-12-13 | | Identifier: | N~5~-[N-(3-aminopropyl)carbamimidoyl]-L-ornithine |
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 | | C4R | | Name: | (R)-2-amino-3-(bicyclo[2.2.1]hepta-2,5-dien-7-ylthio)propanoic acid rhodium | | Formula: | C10 H14 N O2 Rh S | | SMILES: | N[CH](C[SH]1C2[CH]3CC[CH]2C4=C3[Rh+]14)C(O)=O | | InChi: | InChI=1S/C10H13NO2S.Rh/c11-8(10(12)13)5-14-9-6-1-2-7(9)4-3-6 | | Synonyms: | (bicyclo [2.2.1] hepta-2-ene)-cystein rhodium | | Definition date: | 2008-11-11 | | Last modified: | 2023-11-03 |
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