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SER
SER
Name:SERINE
Formula:C3 H7 N O3
SMILES:O=C(O)C(N)CO
InChi:InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:L-serine
UT8
UT8
Name:4-[(7-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde
Formula:C16 H15 N O5 S
SMILES:COc1ccc2N(CCOc2c1)[S](=O)(=O)c3ccc(C=O)cc3
InChi:InChI=1S/C16H15NO5S/c1-21-13-4-7-15-16(10-13)22-9-8-17(15)23(19,20)14-5-2-12(11-18)3-6-14/h2-7,10-11H,8-9H2,1H3
Definition date:2021-03-17
Last modified:2024-09-27
Release date:2021-06-09
Identifier:4-[(7-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde
MOX
MOX
Name:(2R)-2-[(1R)-1-{[(2S)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3-oxazine-4-carboxylic acid
Formula:C18 H18 N2 O9
SMILES:O=C(O)C(c1ccc(O)cc1)C(=O)NC(OC)(C=O)C2N=C(C(=C)CO2)C(=O)O
InChi:InChI=1S/C18H18N2O9/c1-9-7-29-17(19-13(9)16(26)27)18(8-21,28-2)20-14(23)12(15(24)25)10-3-5-11(22)6-4-10/h3-6,8,12,17,22H,1,7H2,2H3,(H,20,23)(H,24,25)(H,26,27)/t12-,17+,18-/m0/s1
Synonyms:MOXALACTAM DERIVATIVE (open form)
Definition date:2000-08-11
Last modified:2024-09-27
Identifier:(2R)-2-[(1R)-1-{[(2S)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3-oxazine-4-carboxylic acid
ALV
ALV
Name:(2S)-2-aminopropane-1,1-diol
Formula:C3 H9 N O2
SMILES:OC(O)C(N)C
InChi:InChI=1S/C3H9NO2/c1-2(4)3(5)6/h2-3,5-6H,4H2,1H3/t2-/m0/s1
Definition date:2010-10-07
Last modified:2024-09-27
Identifier:(2S)-2-aminopropane-1,1-diol
SET
SET
Name:AMINOSERINE
Formula:C3 H8 N2 O2
SMILES:O=C(N)C(N)CO
InChi:InChI=1S/C3H8N2O2/c4-2(1-6)3(5)7/h2,6H,1,4H2,(H2,5,7)/t2-/m0/s1
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:L-serinamide
T8A
T8A
Name:1-[(4S)-4-phenyl-3,4-dihydroisoquinolin-2(1H)-yl]ethan-1-one
Formula:C17 H17 N O
SMILES:c2cc3C(c1ccccc1)CN(C(C)=O)Cc3cc2
InChi:InChI=1S/C17H17NO/c1-13(19)18-11-15-9-5-6-10-16(15)17(12-18)14-7-3-2-4-8-14/h2-10,17H,11-12H2,1H3/t17-/m0/s1
Definition date:2020-03-16
Last modified:2024-09-27
Release date:2020-03-25
Identifier:1-[(4S)-4-phenyl-3,4-dihydroisoquinolin-2(1H)-yl]ethan-1-one
LW1
LW1
Name:thiophene-2-carbaldehyde
Formula:C5 H4 O S
SMILES:C(c1cccs1)=O
InChi:InChI=1S/C5H4OS/c6-4-5-2-1-3-7-5/h1-4H
Definition date:2018-04-20
Last modified:2024-09-27
Release date:2019-06-12
Identifier:thiophene-2-carbaldehyde
MOZ
MOZ
Name:(2Z)-2-amino-3-hydroxybut-2-enoic acid
Formula:C4 H7 N O3
SMILES:O=C(O)C(=C(O)C)N
InChi:InChI=1S/C4H7NO3/c1-2(6)3(5)4(7)8/h6H,5H2,1H3,(H,7,8)/b3-2-
Definition date:2013-10-10
Last modified:2024-09-27
Release date:2014-12-10
Identifier:(2Z)-2-amino-3-hydroxybut-2-enoic acid
SZF
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:2024-09-27
Release date:2023-05-24
Identifier:1-methoxy-N-methyl-L-tryptophan
TOO
TOO
Name:(4S)-4-[2-(2-{4-[(2E)-4-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}-4-oxobut-2-en-1-yl]piperazin-1-yl}ethoxy)acetamido]-1-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-L-prolinamide bound form
Formula:C61 H81 N13 O7
SMILES:CC(NC)C(=O)NC(C1CCCCC1)C(=O)N1CC(CC1C(=O)NC1CCCc2ccccc21)NC(=O)COCCN1CCN(CC1)CCCC(=O)N1CCCC(C1)n1nc(c2c(N)ncnc21)c1ccc(Oc2ccccc2)cc1
InChi:InChI=1S/C61H81N13O7/c1-41(63-2)59(77)68-56(43-15-5-3-6-16-43)61(79)73-37-45(36-51(73)60(78)67-50-22-11-17-42-14-9-10-21-49(42)50)66-52(75)39-80-35-34-71-32-30-70(31-33-71)28-13-23-53(76)72-29-12-18-46(38-72)74-58-54(57(62)64-40-65-58)55(69-74)44-24-26-48(27-25-44)81-47-19-7-4-8-20-47/h4,7-10,14,19-21,24-27,40-41,43,45-46,50-51,56,63H,3,5-6,11-13,15-18,22-23,28-39H2,1-2H3,(H,66,75)(H,67,78)(H,68,77)(H2,62,64,65)/t41-,45-,46-,50-,51+,56+/m1/s1
Definition date:2022-07-27
Last modified:2024-09-27
Release date:2023-03-08
Identifier:(4R)-4-(2-{2-[4-(4-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}-4-oxobutyl)piperazin-1-yl]ethoxy}acetamido)-1-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-L-prolinamide
N4F
N4F
Name:1-(6,7-dihydro-4~{H}-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-1-one
Formula:C9 H12 N2 O S
SMILES:CCC(=O)N1CCc2ncsc2C1
InChi:InChI=1S/C9H12N2OS/c1-2-9(12)11-4-3-7-8(5-11)13-6-10-7/h6H,2-5H2,1H3
Definition date:2022-08-11
Last modified:2024-09-27
Release date:2022-09-28
Identifier:1-(6,7-dihydro-4~{H}-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-1-one
ALY
ALY
Name:N(6)-ACETYLLYSINE
Formula:C8 H16 N2 O3
SMILES:O=C(NCCCCC(N)C(=O)O)C
InChi:InChI=1S/C8H16N2O3/c1-6(11)10-5-3-2-4-7(9)8(12)13/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1
Definition date:2000-08-18
Last modified:2024-09-27
Identifier:N~6~-acetyl-L-lysine
OCP
OCP
Name:OCTYL-PHOSPHINIC ACID 1,2-BIS-OCTYLCARBAMOYLOXY-ETHYL ESTER
Formula:C29 H59 N2 O7 P
SMILES:O=P(O)(OCC(OC(=O)NCCCCCCCC)COC(=O)NCCCCCCCC)CCCCCCCC
InChi:InChI=1S/C29H59N2O7P/c1-4-7-10-13-16-19-22-30-28(32)36-25-27(38-29(33)31-23-20-17-14-11-8-5-2)26-37-39(34,35)24-21-18-15-12-9-6-3/h27H,4-26H2,1-3H3,(H,30,32)(H,31,33)(H,34,35)/t27-/m1/s1
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:(2R)-2,3-bis[(octylcarbamoyl)oxy]propyl hydrogen (S)-octylphosphonate
R8F
R8F
Name:(1R,5S)-8-(9H-purin-6-yl)-2-oxa-8-azabicyclo[3.3.1]nona-3,6-diene-4,6-dicarbaldehyde
Formula:C14 H11 N5 O3
SMILES:O=CC1=CO[CH]2C[CH]1C(=CN2c3ncnc4nc[nH]c34)C=O
InChi:InChI=1S/C14H11N5O3/c20-3-8-2-19(11-1-10(8)9(4-21)5-22-11)14-12-13(16-6-15-12)17-7-18-14/h2-7,10-11H,1H2,(H,15,16,17,18)/t10-,11+/m0/s1
Synonyms:(1~{R},5~{S})-8-(7~{H}-purin-6-yl)-2-oxa-8-azabicyclo[3.3.1]nona-3,6-diene-4,6-dicarbaldehyde
Definition date:2022-11-25
Last modified:2024-09-27
Release date:2023-11-29
Identifier:(1~{R},5~{S})-8-(7~{H}-purin-6-yl)-2-oxa-8-azabicyclo[3.3.1]nona-3,6-diene-4,6-dicarbaldehyde
PMP
PMP
Name:4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE
Formula:C8 H13 N2 O5 P
SMILES:O=P(O)(O)OCc1cnc(c(O)c1CN)C
InChi:InChI=1S/C8H13N2O5P/c1-5-8(11)7(2-9)6(3-10-5)4-15-16(12,13)14/h3,11H,2,4,9H2,1H3,(H2,12,13,14)
Synonyms:PYRIDOXAMINE-5'-PHOSPHATE
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:[4-(aminomethyl)-5-hydroxy-6-methylpyridin-3-yl]methyl dihydrogen phosphate
T8D
T8D
Name:1-{4-[(5-chlorothiophen-2-yl)sulfonyl]piperazin-1-yl}ethan-1-one
Formula:C10 H13 Cl N2 O3 S2
SMILES:N1(CCN(CC1)C(C)=O)S(c2ccc(s2)Cl)(=O)=O
InChi:InChI=1S/C10H13ClN2O3S2/c1-8(14)12-4-6-13(7-5-12)18(15,16)10-3-2-9(11)17-10/h2-3H,4-7H2,1H3
Definition date:2020-03-16
Last modified:2024-09-27
Release date:2020-03-25
Identifier:1-{4-[(5-chlorothiophen-2-yl)sulfonyl]piperazin-1-yl}ethan-1-one
PMQ
PMQ
Name:benzylcarbamic acid
Formula:C8 H9 N O2
SMILES:O=C(O)NCc1ccccc1
InChi:InChI=1S/C8H9NO2/c10-8(11)9-6-7-4-2-1-3-5-7/h1-5,9H,6H2,(H,10,11)
Definition date:2012-03-15
Last modified:2024-09-27
Identifier:benzylcarbamic acid
OCQ
OCQ
Name:(3S)-3-[(2S)-2-AMINO-4-HYDROXY-3-OXOBUTYL]PYRROLIDIN-2-ONE
Formula:C8 H14 N2 O3
SMILES:O=C1NCCC1CC(N)C(=O)CO
InChi:InChI=1S/C8H14N2O3/c9-6(7(12)4-11)3-5-1-2-10-8(5)13/h5-6,11H,1-4,9H2,(H,10,13)/t5-,6-/m0/s1
Definition date:2007-06-07
Last modified:2024-09-27
Identifier:(3S)-3-[(2S)-2-amino-4-hydroxy-3-oxobutyl]pyrrolidin-2-one
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
BEF
BEF
Name:BERYLLIUM TRIFLUORIDE ION
Formula:Be F3
SMILES:F[Be-](F)F
InChi:InChI=1S/Be.3FH/h
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:trifluoroberyllate(1-)
SEZ
SEZ
Name:1,3,5-trimethylbenzene
Formula:C9 H12
SMILES:Cc1cc(C)cc(C)c1
InChi:InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3
Synonyms:mesitylene
Definition date:2020-11-13
Last modified:2024-09-27
Release date:2020-12-02
Identifier:1,3,5-trimethylbenzene
TOQ
TOQ
Name:6,7-dihydroxy-L-tryptophan
Formula:C11 H12 N2 O4
SMILES:O=C(O)C(N)Cc2c1ccc(O)c(O)c1nc2
InChi:InChI=1S/C11H12N2O4/c12-7(11(16)17)3-5-4-13-9-6(5)1-2-8(14)10(9)15/h1-2,4,7,13-15H,3,12H2,(H,16,17)/t7-/m0/s1
Definition date:2011-07-22
Last modified:2024-09-27
Identifier:6,7-dihydroxy-L-tryptophan
SZI
SZI
Name:[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]sulfanylmethyl-$l^{3}-oxidanyl-bis(oxidanyl)boron
Formula:C17 H14 B F6 N2 O3 S
SMILES:O[B](O)(O)CSc1nc2ccccc2n1Cc3ccc(cc3C(F)(F)F)C(F)(F)F
InChi:InChI=1S/C17H14BF6N2O3S/c19-16(20,21)11-6-5-10(12(7-11)17(22,23)24)8-26-14-4-2-1-3-13(14)25-15(26)30-9-18(27,28)29/h1-7,27-29H,8-9H2
Definition date:2022-12-20
Last modified:2024-09-27
Release date:2024-07-10
Identifier:[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]sulfanylmethyl-tris(oxidanyl)boron
RM9
RM9
Name:(1aR,7bS)-5-fluoro-2-hydroxy-1,1a,2,7b-tetrahydrocyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid
Formula:C10 H8 B F O4
SMILES:B1(Oc3c(C(O)=O)c(ccc3C2C1C2)F)O
InChi:InChI=1S/C10H8BFO4/c12-7-2-1-4-5-3-6(5)11(15)16-9(4)8(7)10(13)14/h1-2,5-6,15H,3H2,(H,13,14)/t5-,6-/m1/s1
Definition date:2019-11-24
Last modified:2024-09-27
Release date:2020-03-25
Identifier:(1aR,7bS)-5-fluoro-2-hydroxy-1,1a,2,7b-tetrahydrocyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid
MBQ
MBQ
Name:2-HYDROXY-5-({1-[(4-METHYLPHENOXY)METHYL]-3-OXOPROP-1-ENYL}AMINO)-L-TYROSINE
Formula:C20 H22 N2 O6
SMILES:O=C(O)C(N)Cc2c(O)cc(O)c(NC(=CC=O)COc1ccc(cc1)C)c2
InChi:InChI=1S/C20H22N2O6/c1-12-2-4-15(5-3-12)28-11-14(6-7-23)22-17-9-13(8-16(21)20(26)27)18(24)10-19(17)25/h2-7,9-10,16,22,24-25H,8,11,21H2,1H3,(H,26,27)/b14-6+/t16-/m0/s1
Definition date:2004-03-04
Last modified:2024-09-27
Identifier:2-hydroxy-5-({(1E)-1-[(4-methylphenoxy)methyl]-3-oxoprop-1-en-1-yl}amino)-L-tyrosine

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數據於2024-11-13公開中

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