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OCR
OCR
Name:(5E,8E,11Z,13E)-15-oxoicosa-5,8,11,13-tetraenoic acid
Formula:C20 H30 O3
SMILES:O=C(C=CC=C/C/C=C/C/C=C/CCCC(=O)O)CCCCC
InChi:InChI=1S/C20H30O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4+,10-8+,11-9-,17-14+
Synonyms:15-oxo-eicosatetraenoic acid
Definition date:2008-03-17
Last modified:2024-09-27
Identifier:(5E,8E,11Z,13E)-15-oxoicosa-5,8,11,13-tetraenoic acid
OCS
OCS
Name:CYSTEINESULFONIC ACID
Formula:C3 H7 N O5 S
SMILES:O=S(=O)(O)CC(C(=O)O)N
InChi:InChI=1S/C3H7NO5S/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:3-sulfo-L-alanine
OCT
OCT
Name:N-OCTANE
Formula:C8 H18
SMILES:CCCCCCCC
InChi:InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:octane
AFC
AFC
Name:(3R,12R)-3-amino-12-methyltetradecanoic acid
Formula:C15 H31 N O2
SMILES:O=C(O)CC(N)CCCCCCCCC(C)CC
InChi:InChI=1S/C15H31NO2/c1-3-13(2)10-8-6-4-5-7-9-11-14(16)12-15(17)18/h13-14H,3-12,16H2,1-2H3,(H,17,18)/t13-,14-/m1/s1
Definition date:2006-09-27
Last modified:2024-09-27
Identifier:(3R,12R)-3-amino-12-methyltetradecanoic acid
OCX
OCX
Name:(5E,11E,14E)-8-oxoicosa-5,9,11,14-tetraenoic acid
Formula:C20 H30 O3
SMILES:O=C(C=CC=CC/C=C/CCCCC)C/C=C/CCCC(=O)O
InChi:InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-13-16-19(21)17-14-11-12-15-18-20(22)23/h6-7,9-11,13-14,16H,2-5,8,12,15,17-18H2,1H3,(H,22,23)/b7-6+,10-9+,14-11+,16-13?
Synonyms:8-oxo-eicosatetraenoic acid
Definition date:2008-03-17
Last modified:2024-09-27
Identifier:(5E,9E,11E,14E)-8-oxoicosa-5,9,11,14-tetraenoic acid
OCY
OCY
Name:HYDROXYETHYLCYSTEINE
Formula:C5 H11 N O3 S
SMILES:O=C(O)C(N)CSCCO
InChi:InChI=1S/C5H11NO3S/c6-4(5(8)9)3-10-2-1-7/h4,7H,1-3,6H2,(H,8,9)/t4-/m0/s1
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:S-(2-hydroxyethyl)-L-cysteine
ODA
ODA
Name:9-AMINO-6,10-DIOXO-OCTAHYDRO-PYRIDAZINO[1,2-A][1,2]DIAZEPINE-1-CARBOXYLIC ACID
Formula:C10 H15 N3 O4
SMILES:O=C(O)C2N1C(=O)C(N)CCC(=O)N1CCC2
InChi:InChI=1S/C10H15N3O4/c11-6-3-4-8(14)12-5-1-2-7(10(16)17)13(12)9(6)15/h6-7H,1-5,11H2,(H,16,17)/t6-,7-/m0/s1
Definition date:1999-10-14
Last modified:2024-09-27
Identifier:(1S,9S)-9-amino-6,10-dioxooctahydro-6H-pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid
ODC
ODC
Name:2-chloranyl-~{N}-[2-[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]ethyl]ethanamide
Formula:C19 H26 Cl2 N2 O3
SMILES:CC(C)(Oc1ccc(Cl)cc1)C(=O)N2CCC(CCNC(=O)CCl)CC2
InChi:InChI=1S/C19H26Cl2N2O3/c1-19(2,26-16-5-3-15(21)4-6-16)18(25)23-11-8-14(9-12-23)7-10-22-17(24)13-20/h3-6,14H,7-13H2,1-2H3,(H,22,24)
Definition date:2022-09-05
Last modified:2024-09-27
Release date:2023-09-20
Identifier:2-chloranyl-~{N}-[2-[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]ethyl]ethanamide
AG2
AG2
Name:AGMATINE
Formula:C5 H14 N4
SMILES:[N@H]=C(N)NCCCCN
InChi:InChI=1S/C5H14N4/c6-3-1-2-4-9-5(7)8/h1-4,6H2,(H4,7,8,9)
Synonyms:(4-AMINOBUTYL)GUANIDINE
Definition date:2002-10-04
Last modified:2024-09-27
Identifier:1-(4-aminobutyl)guanidine
ODN
ODN
Name:(1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14R,16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one
Formula:C20 H30 O6
SMILES:O=C2C(C)C4CCC3C51C(C(O)C(O)(OC1)C23C4O)C(CCC5O)(C)C
InChi:InChI=1S/C20H30O6/c1-9-10-4-5-11-18-8-26-20(25,19(11,14(9)22)15(10)23)16(24)13(18)17(2,3)7-6-12(18)21/h9-13,15-16,21,23-25H,4-8H2,1-3H3/t9-,10+,11+,12+,13-,15-,16+,18-,19+,20-/m1/s1
Definition date:2014-04-25
Last modified:2024-09-27
Release date:2014-10-15
Identifier:(1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14R,16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one
AG6
AG6
Name:N-[(benzyloxy)carbonyl]-L-alpha-glutamyl-N-[(1S)-4-oxo-4-phenyl-1-propylbut-2-en-1-yl]-L-phenylalaninamide
Formula:C35 H39 N3 O7
SMILES:CCC[CH](NC(=O)[CH](Cc1ccccc1)NC(=O)[CH](CCC(O)=O)NC(=O)OCc2ccccc2)C=CC(=O)c3ccccc3
InChi:InChI=1S/C35H39N3O7/c1-2-12-28(19-21-31(39)27-17-10-5-11-18-27)36-34(43)30(23-25-13-6-3-7-14-25)37-33(42)29(20-22-32(40)41)38-35(44)45-24-26-15-8-4-9-16-26/h3-11,13-19,21,28-30H,2,12,20,22-24H2,1H3,(H,36,43)(H,37,42)(H,38,44)(H,40,41)/t28-,29-,30-/m0/s1
Definition date:2009-02-23
Last modified:2024-09-27
Identifier:(4S)-5-oxo-5-[[(2S)-1-oxo-1-[[(4S)-1-oxo-1-phenyl-hept-2-en-4-yl]amino]-3-phenyl-propan-2-yl]amino]-4-(phenylmethoxycarbonylamino)pentanoic acid
AG7
AG7
Name:4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER
Formula:C31 H41 F N4 O7
SMILES:O=C(NC(C(=O)CC(C(=O)NC(CC1C(=O)NCC1)CCC(=O)OCC)Cc2ccc(F)cc2)C(C)C)c3noc(c3)C
InChi:InChI=1S/C31H41FN4O7/c1-5-42-27(38)11-10-24(16-21-12-13-33-29(21)39)34-30(40)22(15-20-6-8-23(32)9-7-20)17-26(37)28(18(2)3)35-31(41)25-14-19(4)43-36-25/h6-9,14,18,21-22,24,28H,5,10-13,15-17H2,1-4H3,(H,33,39)(H,34,40)(H,35,41)/t21-,22+,24+,28-/m0/s1
Synonyms:RUPINTRIVIR, bound form
Definition date:1999-08-20
Last modified:2024-09-27
Identifier:ethyl (4R)-4-{[(2R,5S)-2-(4-fluorobenzyl)-6-methyl-5-{[(5-methyl-1,2-oxazol-3-yl)carbonyl]amino}-4-oxoheptanoyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate
AGD
AGD
Name:3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-D-alanine
Formula:C8 H10 N6 O3
SMILES:O=C(O)C(N)Cn1c2N=C(NC(=O)c2nc1)N
InChi:InChI=1S/C8H10N6O3/c9-3(7(16)17)1-14-2-11-4-5(14)12-8(10)13-6(4)15/h2-3H,1,9H2,(H,16,17)(H3,10,12,13,15)/t3-/m1/s1
Definition date:2008-02-12
Last modified:2024-09-27
Identifier:3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-D-alanine
ODZ
ODZ
Name:2-(4-hydroxyphenyl)-~{N}-[(2~{S})-2-methyl-4-oxidanyl-1-oxidanylidene-pent-4-en-2-yl]ethanamide
Formula:C14 H17 N O4
SMILES:C[C](CC(O)=C)(NC(=O)Cc1ccc(O)cc1)C=O
InChi:InChI=1S/C14H17NO4/c1-10(17)8-14(2,9-16)15-13(19)7-11-3-5-12(18)6-4-11/h3-6,9,17-18H,1,7-8H2,2H3,(H,15,19)/t14-/m0/s1
Definition date:2020-02-28
Last modified:2024-09-27
Release date:2020-06-24
Identifier:2-(4-hydroxyphenyl)-~{N}-[(2~{S})-2-methyl-4-oxidanyl-1-oxidanylidene-pent-4-en-2-yl]ethanamide
AGM
AGM
Name:5-METHYL-ARGININE
Formula:C7 H17 N4 O2
SMILES:O=C(O)C(N)CCC(NC(=[NH2+])N)C
InChi:InChI=1S/C7H16N4O2/c1-4(11-7(9)10)2-3-5(8)6(12)13/h4-5H,2-3,8H2,1H3,(H,12,13)(H4,9,10,11)/p+1/t4-,5-/m0/s1
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:amino{[(1S,4S)-4-amino-4-carboxy-1-methylbutyl]amino}methaniminium
AGQ
AGQ
Name:3-[(3E)-3-(carbamimidoylhydrazono)-4-hydroxy-6-oxocyclohexa-1,4-dien-1-yl]-L-alanine
Formula:C10 H13 N5 O4
SMILES:O=C1C=C(O)/C(=N/NC(=[N@H])N)C=C1CC(C(=O)O)N
InChi:InChI=1S/C10H13N5O4/c11-5(9(18)19)1-4-2-6(14-15-10(12)13)8(17)3-7(4)16/h2-3,5,17H,1,11H2,(H,18,19)(H4,12,13,15)/b14-6+/t5-/m0/s1
Definition date:2010-05-17
Last modified:2024-09-27
Identifier:3-[(3E)-3-(2-carbamimidoylhydrazinylidene)-4-hydroxy-6-oxocyclohexa-1,4-dien-1-yl]-L-alanine
OEE
OEE
Name:~{tert}-butyl ~{N}-[(2~{S})-2-methyl-4-oxidanyl-1-oxidanylidene-pent-4-en-2-yl]carbamate
Formula:C11 H19 N O4
SMILES:CC(C)(C)OC(=O)N[C](C)(CC(O)=C)C=O
InChi:InChI=1S/C11H19NO4/c1-8(14)6-11(5,7-13)12-9(15)16-10(2,3)4/h7,14H,1,6H2,2-5H3,(H,12,15)/t11-/m0/s1
Definition date:2020-02-28
Last modified:2024-09-27
Release date:2020-06-24
Identifier:~{tert}-butyl ~{N}-[(2~{S})-2-methyl-4-oxidanyl-1-oxidanylidene-pent-4-en-2-yl]carbamate
AGT
AGT
Name:S-{(S)-AMINO[(4-AMINOBUTYL)AMINO]METHYL}-L-CYSTEINE
Formula:C8 H20 N4 O2 S
SMILES:O=C(O)C(N)CSC(NCCCCN)N
InChi:InChI=1S/C8H20N4O2S/c9-3-1-2-4-12-8(11)15-5-6(10)7(13)14/h6,8,12H,1-5,9-11H2,(H,13,14)/t6-,8-/m0/s1
Definition date:2006-08-17
Last modified:2024-09-27
Identifier:S-{(S)-amino[(4-aminobutyl)amino]methyl}-L-cysteine
OEH
OEH
Name:[9-[2-carboxy-5-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium
Formula:C35 H43 Cl N3 O6
SMILES:CN(C)c1ccc2c(OC3=CC(C=CC3=C2c4cc(ccc4C(O)=O)C(=O)NCCOCCOCCCCCCCl)=[N+](C)C)c1
InChi:InChI=1S/C35H42ClN3O6/c1-38(2)25-10-13-28-31(22-25)45-32-23-26(39(3)4)11-14-29(32)33(28)30-21-24(9-12-27(30)35(41)42)34(40)37-16-18-44-20-19-43-17-8-6-5-7-15-36/h9-14,21-23H,5-8,15-20H2,1-4H3,(H-,37,40,41,42)/p+1
Definition date:2020-02-28
Last modified:2024-09-27
Release date:2021-03-31
Identifier:[9-[2-carboxy-5-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium
OEK
OEK
Name:4-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]-2-[3-(dimethylamino)-6-(dimethyl-$l^{4}-azanylidene)-10,10-dimethyl-anthracen-9-yl]benzoic acid
Formula:C38 H49 Cl N3 O5
SMILES:CN(C)c1ccc2c(c1)C(C)(C)C3=CC(C=CC3=C2c4cc(ccc4C(O)=O)C(=O)NCCOCCOCCCCCCCl)=[N+](C)C
InChi:InChI=1S/C38H48ClN3O5/c1-38(2)33-24-27(41(3)4)12-15-30(33)35(31-16-13-28(42(5)6)25-34(31)38)32-23-26(11-14-29(32)37(44)45)36(43)40-18-20-47-22-21-46-19-10-8-7-9-17-39/h11-16,23-25H,7-10,17-22H2,1-6H3,(H-,40,43,44,45)/p+1
Definition date:2020-02-28
Last modified:2024-09-27
Release date:2021-03-31
Identifier:[10-[2-carboxy-5-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]phenyl]-7-(dimethylamino)-9,9-dimethyl-anthracen-2-ylidene]-dimethyl-azanium
AH0
AH0
Name:2-(2-ACETYLAMINO-4-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-PROPIONIC ACID
Formula:C11 H17 N O7
SMILES:O=C(O)C(OC2C(O)C1OC(OC1)C2NC(=O)C)C
InChi:InChI=1S/C11H17NO7/c1-4(10(15)16)18-9-7(12-5(2)13)11-17-3-6(19-11)8(9)14/h4,6-9,11,14H,3H2,1-2H3,(H,12,13)(H,15,16)/t4-,6-,7-,8-,9-,11-/m1/s1
Synonyms:1,6-anhydro-N-acetylmuramic acid
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:(2R)-2-{[(1R,2S,3R,4R,5R)-4-(acetylamino)-2-hydroxy-6,8-dioxabicyclo[3.2.1]oct-3-yl]oxy}propanoic acid (non-preferred name)
OEL
OEL
Name:(6R)-2,6-anhydro-3,4,5-trideoxy-6-[(2S)-2,3-dihydroxypropanoyl]-3-fluoro-5-[(2-methylpropanoyl)amino]-4-triaza-1,2-dien -2-ium-1-yl-L-gulonic acid
Formula:C13 H20 F N4 O7
SMILES:FC1C(N=[N+]=[N@H])C(NC(=O)C(C)C)C(OC1C(=O)O)C(=O)C(O)CO
InChi:InChI=1S/C13H19FN4O7/c1-4(2)12(22)16-8-7(17-18-15)6(14)10(13(23)24)25-11(8)9(21)5(20)3-19/h4-8,10-11,15,19-20H,3H2,1-2H3,(H-,16,22,23,24)/p+1/t5-,6-,7-,8+,10-,11+/m0/s1
Definition date:2015-01-12
Last modified:2024-09-27
Release date:2015-02-11
Identifier:(6R)-2,6-anhydro-3,4,5-trideoxy-6-[(2S)-2,3-dihydroxypropanoyl]-3-fluoro-5-[(2-methylpropanoyl)amino]-4-triaza-1,2-dien -2-ium-1-yl-L-gulonic acid
OEM
OEM
Name:N-methyl-D-aspartic acid
Formula:C5 H9 N O4
SMILES:O=C(O)C(NC)CC(=O)O
InChi:InChI=1S/C5H9NO4/c1-6-3(5(9)10)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)/t3-/m1/s1
Definition date:2010-08-17
Last modified:2024-09-27
Identifier:N-methyl-D-aspartic acid
AHB
AHB
Name:BETA-HYDROXYASPARAGINE
Formula:C4 H8 N2 O4
SMILES:O=C(O)C(N)C(O)C(=O)N
InChi:InChI=1S/C4H8N2O4/c5-1(4(9)10)2(7)3(6)8/h1-2,7H,5H2,(H2,6,8)(H,9,10)/t1-,2-/m0/s1
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:(3S)-3-hydroxy-L-asparagine
OEW
OEW
Name:~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclohexyl-1-[[(2~{S},3~{R})-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate
Formula:C30 H43 N5 O7
SMILES:CC(C)(C)OC(=O)NC1=CC=CN([CH](CC2CCCCC2)C(=O)N[CH](C[CH]3CC=NC3=O)[CH](O)C(=O)NC4CC4)C1=O
InChi:InChI=1S/C30H43N5O7/c1-30(2,3)42-29(41)34-21-10-7-15-35(28(21)40)23(16-18-8-5-4-6-9-18)26(38)33-22(17-19-13-14-31-25(19)37)24(36)27(39)32-20-11-12-20/h7,10,14-15,18-20,22-24,36H,4-6,8-9,11-13,16-17H2,1-3H3,(H,32,39)(H,33,38)(H,34,41)/t19-,22-,23-,24+/m0/s1
Synonyms:Tert-butyl (1-((S)-3-cyclohexyl-1-(((S)-4-(cyclopropylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)amino)-1-oxopropan-2-yl)-2-oxo-1,2-dihydropyridin-3-yl)carbamate
Definition date:2020-03-02
Last modified:2024-09-27
Release date:2020-03-18
Identifier:~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclohexyl-1-[[(2~{S},3~{R})-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate

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數據於2024-10-09公開中

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