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TRF
TRF
表記:N1-FORMYL-TRYPTOPHAN
組成式:C12 H12 N2 O3
SMILES:O=C(O)C(N)Cc2c1ccccc1n(c2)C=O
InChi:InChI=1S/C12H12N2O3/c13-10(12(16)17)5-8-6-14(7-15)11-4-2-1-3-9(8)11/h1-4,6-7,10H,5,13H2,(H,16,17)/t10-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:1-formyl-L-tryptophan
L70
L70
表記:(3~{S})-1-[2-azanyl-3,5-bis(chloranyl)phenyl]carbonyl-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-3-carboxamide
組成式:C19 H28 Cl2 N4 O2 S2
SMILES:CN(C)CCSSCCNC(=O)[CH]1CCCN(C1)C(=O)c2cc(Cl)cc(Cl)c2N
InChi:InChI=1S/C19H28Cl2N4O2S2/c1-24(2)7-9-29-28-8-5-23-18(26)13-4-3-6-25(12-13)19(27)15-10-14(20)11-16(21)17(15)22/h10-11,13H,3-9,12,22H2,1-2H3,(H,23,26)/t13-/m0/s1
定義日:2022-06-20
最終更新日:2024-09-27
公開日:2023-04-26
識別子（ID）:(3~{S})-1-[2-azanyl-3,5-bis(chloranyl)phenyl]carbonyl-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-3-carboxamide
QIP
QIP
表記:2-[(2~{S})-2-(3-methylsulfanylpropanimidoyl)-2-oxidanyl-4-oxidanylidene-imidazolidin-1-yl]-2-oxidanylidene-ethanamide
組成式:C9 H14 N4 O4 S
SMILES:CSCCC(=N)[C]1(O)NC(=O)CN1C(=O)C(N)=O
InChi:InChI=1S/C9H14N4O4S/c1-18-3-2-5(10)9(17)12-6(14)4-13(9)8(16)7(11)15/h10,17H,2-4H2,1H3,(H2,11,15)(H,12,14)/b10-5-/t9-/m0/s1
別名:CHROMOPHORE (MET-TYR-GLY)
定義日:2022-11-01
最終更新日:2024-09-27
公開日:2023-04-05
識別子（ID）:2-[(2~{S})-2-(3-methylsulfanylpropanimidoyl)-2-oxidanyl-4-oxidanylidene-imidazolidin-1-yl]-2-oxidanylidene-ethanamide
SIL
SIL
表記:[(4S)-2,2-DIMETHYL-1,3-DIOXOLAN-4-YL]METHYL HYDROGEN HEX-5-ENYLPHOSPHONATE
組成式:C12 H23 O5 P
SMILES:O=P(OCC1OC(OC1)(C)C)(O)CCCCC=C
InChi:InChI=1S/C12H23O5P/c1-4-5-6-7-8-18(13,14)16-10-11-9-15-12(2,3)17-11/h4,11H,1,5-10H2,2-3H3,(H,13,14)/t11-/m1/s1
別名:O-[(S)-1,2-O-ISOPROPYLIDENE-SN-GLYCEROL]6-HEXENYL PHOSPHONATE
定義日:2003-10-16
最終更新日:2024-09-27
識別子（ID）:[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl hydrogen (R)-hex-5-en-1-ylphosphonate
L71
L71
表記:(3S)-3-[3-(aminomethyl)phenyl]-1-ethylpyrrolidine-2,5-dione
組成式:C13 H16 N2 O2
SMILES:O=C2N(C(=O)CC2c1cccc(c1)CN)CC
InChi:InChI=1S/C13H16N2O2/c1-2-15-12(16)7-11(13(15)17)10-5-3-4-9(6-10)8-14/h3-6,11H,2,7-8,14H2,1H3/t11-/m0/s1
定義日:2014-07-02
最終更新日:2024-09-27
公開日:2015-03-04
識別子（ID）:(3S)-3-[3-(aminomethyl)phenyl]-1-ethylpyrrolidine-2,5-dione
SIN
SIN
表記:SUCCINIC ACID
組成式:C4 H6 O4
SMILES:O=C(O)CCC(=O)O
InChi:InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:butanedioic acid
PAC
PAC
表記:2-PHENYLACETIC ACID
組成式:C8 H8 O2
SMILES:O=C(O)Cc1ccccc1
InChi:InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:phenylacetic acid
1U8
1U8
表記:(3S)-3-amino-5-[(2,6-dimethylbenzoyl)oxy]-4-oxopentanoic acid
組成式:C14 H17 N O5
SMILES:O=C(O)CC(N)C(=O)COC(=O)c1c(cccc1C)C
InChi:InChI=1S/C14H17NO5/c1-8-4-3-5-9(2)13(8)14(19)20-7-11(16)10(15)6-12(17)18/h3-5,10H,6-7,15H2,1-2H3,(H,17,18)/t10-/m0/s1
定義日:2013-03-28
最終更新日:2024-09-27
公開日:2013-06-12
識別子（ID）:(3S)-3-amino-5-[(2,6-dimethylbenzoyl)oxy]-4-oxopentanoic acid
TRL
TRL
表記:{1-[2-(1-FORMYL-PROPYL)-3-METHANESULFONYLAMINO-PYRROLIDINE-1-CARBONYL]-2-METHYL-PROPYL}-CARBAMIC ACID TERT-BUTYL ESTER
組成式:C19 H35 N3 O6 S
SMILES:O=C(N1CCC(NS(=O)(=O)C)C1C(C=O)CC)C(NC(=O)OC(C)(C)C)C(C)C
InChi:InChI=1S/C19H35N3O6S/c1-8-13(11-23)16-14(21-29(7,26)27)9-10-22(16)17(24)15(12(2)3)20-18(25)28-19(4,5)6/h11-16,21H,8-10H2,1-7H3,(H,20,25)/t13-,14+,15+,16-/m1/s1
別名:GW472467X
定義日:2002-11-01
最終更新日:2024-09-27
識別子（ID）:tert-butyl [(1S)-1-({(2R,3S)-2-[(1S)-1-formylpropyl]-3-[(methylsulfonyl)amino]pyrrolidin-1-yl}carbonyl)-2-methylpropyl]carbamate
TRM
TRM
表記:1H-BENOXIMIDAZOLE-2-CARBOXYLIC ACID
組成式:C8 H6 N2 O2
SMILES:O=C(O)c2nc1ccccc1n2
InChi:InChI=1S/C8H6N2O2/c11-8(12)7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H,9,10)(H,11,12)
定義日:2000-09-12
最終更新日:2024-09-27
識別子（ID）:1H-benzimidazole-2-carboxylic acid
OWN
OWN
表記:methyl 4-(cyclopropylmethyl)-1-prop-2-enoyl-2,3-dihydroquinoxaline-6-carboxylate
組成式:C17 H20 N2 O3
SMILES:COC(=O)c1ccc2N(CCN(CC3CC3)c2c1)C(=O)C=C
InChi:InChI=1S/C17H20N2O3/c1-3-16(20)19-9-8-18(11-12-4-5-12)15-10-13(17(21)22-2)6-7-14(15)19/h3,6-7,10,12H,1,4-5,8-9,11H2,2H3
定義日:2020-04-06
最終更新日:2024-09-27
公開日:2020-07-22
識別子（ID）:methyl 4-(cyclopropylmethyl)-1-prop-2-enoyl-2,3-dihydroquinoxaline-6-carboxylate
TC3
TC3
表記:ETHYL HYDROGEN METHYLAMIDOPHOSPHATE
組成式:C3 H10 N O3 P
SMILES:O=P(O)(OCC)NC
InChi:InChI=1S/C3H10NO3P/c1-3-7-8(5,6)4-2/h3H2,1-2H3,(H2,4,5,6)
定義日:2009-05-11
最終更新日:2024-09-27
識別子（ID）:ethyl hydrogen methylamidophosphate
OG9
OG9
表記:(pyren-1-yl)acetic acid
組成式:C18 H12 O2
SMILES:O=C(O)Cc1ccc2ccc3cccc4ccc1c2c34
InChi:InChI=1S/C18H12O2/c19-16(20)10-14-7-6-13-5-4-11-2-1-3-12-8-9-15(14)18(13)17(11)12/h1-9H,10H2,(H,19,20)
定義日:2022-04-29
最終更新日:2024-09-27
公開日:2023-05-10
識別子（ID）:(pyren-1-yl)acetic acid
TRN
TRN
表記:NZ2-TRYPTOPHAN
組成式:C10 H11 N3 O2
SMILES:O=C(O)C(N)Cc2c1cccnc1nc2
InChi:InChI=1S/C10H11N3O2/c11-8(10(14)15)4-6-5-13-9-7(6)2-1-3-12-9/h1-3,5,8H,4,11H2,(H,12,13)(H,14,15)/t8-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-L-alanine
TC4
TC4
表記:BUTYL-PHOSPHINIC ACID 2,3-BIS-BUTYLCARBAMOYLOXY-PROPYL ESTER GROUP
組成式:C17 H35 N2 O6 P
SMILES:O=P(OCC(OC(=O)NCCCC)COC(=O)NCCCC)CCCC
InChi:InChI=1S/C17H35N2O6P/c1-4-7-10-18-16(20)23-13-15(14-24-26(22)12-9-6-3)25-17(21)19-11-8-5-2/h15,26H,4-14H2,1-3H3,(H,18,20)(H,19,21)/t15-/m1/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:(2R)-2,3-bis[(butylcarbamoyl)oxy]propyl (S)-butylphosphinate
TRO
TRO
表記:2-HYDROXY-TRYPTOPHAN
組成式:C11 H12 N2 O3
SMILES:O=C(O)C(N)Cc2c1ccccc1nc2O
InChi:InChI=1S/C11H12N2O3/c12-8(11(15)16)5-7-6-3-1-2-4-9(6)13-10(7)14/h1-4,8,13-14H,5,12H2,(H,15,16)/t8-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:2-hydroxy-L-tryptophan
U67
U67
表記:4-methylpentan-1-amine
組成式:C6 H15 N
SMILES:CC(C)CCCN
InChi:InChI=1S/C6H15N/c1-6(2)4-3-5-7/h6H,3-5,7H2,1-2H3
定義日:2020-04-27
最終更新日:2024-09-27
公開日:2020-09-02
識別子（ID）:4-methylpentan-1-amine
TC5
TC5
表記:ETHYL HYDROGEN PROPYLAMIDOPHOSPHATE
組成式:C5 H14 N O3 P
SMILES:O=P(O)(OCC)NCCC
InChi:InChI=1S/C5H14NO3P/c1-3-5-6-10(7,8)9-4-2/h3-5H2,1-2H3,(H2,6,7,8)
定義日:2009-05-12
最終更新日:2024-09-27
識別子（ID）:ethyl hydrogen propylamidophosphate
MTN
MTN
表記:S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate
組成式:C10 H18 N O3 S2
SMILES:ON1C(C=C(CSS(=O)(=O)C)C1(C)C)(C)C
InChi:InChI=1S/C10H19NO3S2/c1-9(2)6-8(7-15-16(5,13)14)10(3,4)11(9)12/h6,12H,7H2,1-5H3
別名:MTSL
定義日:2003-12-10
最終更新日:2024-09-27
識別子（ID）:S-[(1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate
TRQ
TRQ
表記:2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-1H-INDOL-3-YL)-PROPIONIC ACID
組成式:C11 H10 N2 O4
SMILES:O=C(O)C(N)Cc2c1C=CC(=O)C(=O)c1nc2
InChi:InChI=1S/C11H10N2O4/c12-7(11(16)17)3-5-4-13-9-6(5)1-2-8(14)10(9)15/h1-2,4,7,13H,3,12H2,(H,16,17)/t7-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:3-(6,7-dioxo-6,7-dihydro-1H-indol-3-yl)-L-alanine
OGC
OGC
表記:gamma-N-methyl-beta-OH-histidine
組成式:C7 H11 N3 O3
SMILES:Cn1cncc1[CH](O)[CH](N)C(O)=O
InChi:InChI=1S/C7H11N3O3/c1-10-3-9-2-4(10)6(11)5(8)7(12)13/h2-3,5-6,11H,8H2,1H3,(H,12,13)/t5-,6-/m1/s1
別名:(2~{R},3~{S})-2-azanyl-3-(3-methylimidazol-4-yl)-3-oxidanyl-propanoic acid
定義日:2022-09-07
最終更新日:2024-09-27
公開日:2023-08-16
識別子（ID）:(2~{R},3~{S})-2-azanyl-3-(3-methylimidazol-4-yl)-3-oxidanyl-propanoic acid
U6B
U6B
表記:4-AZANYL-N-[(2S)-1-AZANYLIDENE-3-[4-(4-CYANOPHENYL)PHENYL]PROPAN-2-YL]OXANE-4-CARBOXAMIDE
組成式:C22 H24 N4 O2
SMILES:O=C(NC(C=[N@H])Cc2ccc(c1ccc(C#N)cc1)cc2)C3(N)CCOCC3
InChi:InChI=1S/C22H24N4O2/c23-14-17-3-7-19(8-4-17)18-5-1-16(2-6-18)13-20(15-24)26-21(27)22(25)9-11-28-12-10-22/h1-8,15,20,24H,9-13,25H2,(H,26,27)/b24-15+/t20-/m0/s1
定義日:2013-10-31
最終更新日:2024-09-27
公開日:2014-03-19
識別子（ID）:4-amino-N-[(2S,3E)-1-(4'-cyanobiphenyl-4-yl)-3-iminopropan-2-yl]tetrahydro-2H-pyran-4-carboxamide
PAM
PAM
表記:PALMITOLEIC ACID
組成式:C16 H30 O2
SMILES:O=C(O)CCCCCCCC=C/CCCCCC
InChi:InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:(9Z)-hexadec-9-enoic acid
TRW
TRW
表記:TRW3-(2-AMINO-3-HYDROXY-PROPYL)-6-(N'-CYCLOHEXYL-HYDRAZINO)OCTAHYDRO-INDOL-7-OL
組成式:C17 H18 N4 O2
SMILES:O=CC(N)Cc2c1ccc(c(O)c1nc2)NNc3ccccc3
InChi:InChI=1S/C17H18N4O2/c18-12(10-22)8-11-9-19-16-14(11)6-7-15(17(16)23)21-20-13-4-2-1-3-5-13/h1-7,9-10,12,19-21,23H,8,18H2/t12-/m0/s1
別名:PHENYLHYDRAZINE ADDUCT
定義日:2002-08-19
最終更新日:2024-09-27
識別子（ID）:(2S)-2-amino-3-[7-hydroxy-6-(2-phenylhydrazino)-1H-indol-3-yl]propanal
L7L
L7L
表記:(3~{S})-1-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]carbonyl-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-3-carboxamide
組成式:C19 H27 Cl2 N3 O3 S2
SMILES:CN(C)CCSSCCNC(=O)[CH]1CCCN(C1)C(=O)c2cc(Cl)c(O)c(Cl)c2
InChi:InChI=1S/C19H27Cl2N3O3S2/c1-23(2)7-9-29-28-8-5-22-18(26)13-4-3-6-24(12-13)19(27)14-10-15(20)17(25)16(21)11-14/h10-11,13,25H,3-9,12H2,1-2H3,(H,22,26)/t13-/m0/s1
定義日:2022-06-20
最終更新日:2024-09-27
公開日:2023-04-26
識別子（ID）:(3~{S})-1-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]carbonyl-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-3-carboxamide

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