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PJ2
PJ2
Name:(5Z,12Z,15S)-15-hydroxy-11-oxoprosta-5,9,12-trien-1-oic acid
Formula:C20 H30 O4
SMILES:O=C(O)CCC/C=CCC1C=CC(=O)C1=C/CC(O)CCCCC
InChi:InChI=1S/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12,14-17,21H,2-3,5-6,8-11,13H2,1H3,(H,23,24)/b7-4-,18-14-/t16-,17-/m0/s1
Synonyms:delta12-prostaglandine J2
Definition date:2009-09-29
Last modified:2021-03-01
Identifier:(5Z,12Z,15S)-15-hydroxy-11-oxoprosta-5,9,12-trien-1-oic acid
NGV
NGV
Name:METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11-TRIOXO-3,4,6,11-TETRAHYDROTETRACENE-1-CARBOXYLATE
Formula:C21 H14 O7
SMILES:O=C1c4c(C(=O)c2c1cccc2O)c(O)c3c(C(=C(C)CC3=O)C(=O)OC)c4
InChi:InChI=1S/C21H14O7/c1-8-6-13(23)16-10(14(8)21(27)28-2)7-11-17(20(16)26)19(25)15-9(18(11)24)4-3-5-12(15)22/h3-5,7,22,26H,6H2,1-2H3
Synonyms:NOGALAVIKETONE
Definition date:2004-03-09
Last modified:2021-03-01
Identifier:methyl 5,7-dihydroxy-2-methyl-4,6,11-trioxo-3,4,6,11-tetrahydrotetracene-1-carboxylate
UDX
UDX
Name:URIDINE-5'-DIPHOSPHATE-XYLOPYRANOSE
Formula:C14 H22 N2 O16 P2
SMILES:O=P(OC1OCC(O)C(O)C1O)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O
InChi:InChI=1S/C14H22N2O16P2/c17-5-3-28-13(11(22)8(5)19)31-34(26,27)32-33(24,25)29-4-6-9(20)10(21)12(30-6)16-2-1-7(18)15-14(16)23/h1-2,5-6,8-13,17,19-22H,3-4H2,(H,24,25)(H,26,27)(H,15,18,23)/t5-,6-,8+,9-,10-,11-,12-,13-/m1/s1
Synonyms:UDP-ALPHA-D-XYLOPYRANOSE
Definition date:1999-12-13
Last modified:2021-03-01
Identifier:[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)
OAL
OAL
Name:(1,8-DIHYDROXY-9,10-DIOXO-9,10-DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID
Formula:C16 H10 O6
SMILES:O=C2c1cccc(O)c1C(=O)c3c2ccc(c3O)CC(=O)O
InChi:InChI=1S/C16H10O6/c17-10-3-1-2-8-12(10)16(22)13-9(15(8)21)5-4-7(14(13)20)6-11(18)19/h1-5,17,20H,6H2,(H,18,19)
Synonyms:OXIDIZED ACETYL DITHRANOL
Definition date:2002-12-12
Last modified:2021-03-01
Identifier:(1,8-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)acetic acid
T6A
T6A
Name:N-[N-(9-B-D-RIBOFURANOSYLPURIN-6-YL)CARBAMOYL]THREONINE-5'-MONOPHOSPHATE
Formula:C15 H21 N6 O11 P
SMILES:O=C(O)C(NC(=O)Nc3ncnc1c3ncn1C2OC(C(O)C2O)COP(=O)(O)O)C(O)C
InChi:InChI=1S/C15H21N6O11P/c1-5(22)7(14(25)26)19-15(27)20-11-8-12(17-3-16-11)21(4-18-8)13-10(24)9(23)6(32-13)2-31-33(28,29)30/h3-7,9-10,13,22-24H,2H2,1H3,(H,25,26)(H2,28,29,30)(H2,16,17,19,20,27)/t5-,6-,7+,9-,10-,13-/m1/s1
Synonyms:N-(NEBULARIN-6-YLCARBAMOYL)-L-THREONINE-5'-MONOPHOSPHATE
Definition date:1999-07-08
Last modified:2021-03-01
Identifier:(2S,3R)-2-{[(9-{(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}-9H-purin-6-yl)carbamoyl]amino}-3-hydroxybutanoic acid (non-preferred name)
OAN
OAN
Name:O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE
Formula:C15 H19 N3 O7
SMILES:O=C(ON=C1/OC(CO)C(O)C(O)C1NC(=O)C)Nc2ccccc2
InChi:InChI=1S/C15H19N3O7/c1-8(20)16-11-13(22)12(21)10(7-19)24-14(11)18-25-15(23)17-9-5-3-2-4-6-9/h2-6,10-13,19,21-22H,7H2,1H3,(H,16,20)(H,17,23)/b18-14-/t10-,11-,12-,13-/m1/s1
Synonyms:PUGNAc
Definition date:2006-01-05
Last modified:2021-03-01
Identifier:N-[(2Z,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-{[(phenylcarbamoyl)oxy]imino}tetrahydro-2H-pyran-3-yl]acetamide (non-preferred name)
MNN
MNN
Name:(S)-MANDELIC ACID NITRILE
Formula:C8 H7 N O
SMILES:N#CC(O)c1ccccc1
InChi:InChI=1S/C8H7NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H/t8-/m1/s1
Synonyms:(S)-HYDROXY(PHENYL)ACETONITRILE
Definition date:2005-01-19
Last modified:2021-03-01
Identifier:(2S)-hydroxy(phenyl)ethanenitrile
YRL
YRL
Name:4-(2-hydroxyethyl)phenol
Formula:C8 H10 O2
SMILES:Oc1ccc(cc1)CCO
InChi:InChI=1S/C8H10O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,9-10H,5-6H2
Synonyms:p-tyrosol
Definition date:2014-03-25
Last modified:2021-03-01
Release date:2014-07-30
Identifier:4-(2-hydroxyethyl)phenol
T6F
T6F
Name:2-C-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium-2-yl}-6-O-phosphono-D-glucitol
Formula:C18 H32 N4 O16 P3 S
SMILES:O=P(O)(O)OCC(O)C(O)C(O)C(O)(c1sc(c([n+]1Cc2cnc(nc2N)C)C)CCOP(=O)(O)OP(=O)(O)O)CO
InChi:InChI=1S/C18H31N4O16P3S/c1-9-13(3-4-36-41(34,35)38-40(31,32)33)42-17(22(9)6-11-5-20-10(2)21-16(11)19)18(27,8-23)15(26)14(25)12(24)7-37-39(28,29)30/h5,12,14-15,23-27H,3-4,6-8H2,1-2H3,(H6-,19,20,21,28,29,30,31,32,33,34,35)/p+1/t12-,14-,15+,18+/m1/s1
Synonyms:D-FRUCTOSE-6-PHOSPHATE THIAMIN DIPHOSPHATE ADDUCT
Definition date:2007-10-26
Last modified:2021-03-01
Identifier:2-C-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium-2-yl}-6-O-phosphono-D-glucitol
NVE
NVE
Name:diethyl ({4-[2-(11-ethyl-5-methyl-6-oxo-6,11-dihydro-5H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-8-yl)ethyl]phenoxy}methyl)phosphonate
Formula:C27 H33 N4 O5 P
SMILES:O=P(OCC)(OCC)COc1ccc(cc1)CCc4cnc3N(c2ncccc2N(C(=O)c3c4)C)CC
InChi:InChI=1S/C27H33N4O5P/c1-5-31-25-23(27(32)30(4)24-9-8-16-28-26(24)31)17-21(18-29-25)11-10-20-12-14-22(15-13-20)34-19-37(33,35-6-2)36-7-3/h8-9,12-18H,5-7,10-11,19H2,1-4H3
Synonyms:nevirapine phosphonate analogue
Definition date:2012-12-03
Last modified:2021-03-01
Release date:2013-02-15
Identifier:diethyl ({4-[2-(11-ethyl-5-methyl-6-oxo-6,11-dihydro-5H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-8-yl)ethyl]phenoxy}methyl)phosphonate
MNS
MNS
Name:5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONAMIDE
Formula:C12 H14 N2 O2 S
SMILES:O=S(=O)(c1cccc2c1cccc2N(C)C)N
InChi:InChI=1S/C12H14N2O2S/c1-14(2)11-7-3-6-10-9(11)5-4-8-12(10)17(13,15)16/h3-8H,1-2H3,(H2,13,15,16)
Synonyms:DANSYLAMIDE
Definition date:1999-07-08
Last modified:2021-03-01
Identifier:5-(dimethylamino)naphthalene-1-sulfonamide
MNT
MNT
Name:2'(3')-O-N-METHYLANTHRANILOYL-ADENOSINE-5'-DIPHOSPHATE
Formula:C18 H22 N6 O10 P2
SMILES:O=P(O)(O)OP(=O)(O)OCC4OC(n2cnc1c(ncnc12)N)CC4OC(=O)c3ccccc3NC
InChi:InChI=1S/C18H22N6O10P2/c1-20-11-5-3-2-4-10(11)18(25)33-12-6-14(24-9-23-15-16(19)21-8-22-17(15)24)32-13(12)7-31-36(29,30)34-35(26,27)28/h2-5,8-9,12-14,20H,6-7H2,1H3,(H,29,30)(H2,19,21,22)(H2,26,27,28)/t12-,13+,14+/m0/s1
Synonyms:MANT-ADP
Definition date:1999-07-08
Last modified:2021-03-01
Identifier:2'-deoxy-3'-O-{[2-(methylamino)phenyl]carbonyl}adenosine 5'-(trihydrogen diphosphate)
ZEA
ZEA
Name:(2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol
Formula:C10 H13 N5 O
SMILES:n2c1c(ncn1)c(nc2)NCC=C(/C)CO
InChi:InChI=1S/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)/b7-2+
Synonyms:TRANS-ZEATIN
Definition date:2004-06-23
Last modified:2021-03-01
Identifier:(2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol
RXT
RXT
Name:(3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile
Formula:C17 H18 N6
SMILES:N#CCC(n1ncc(c1)c3ncnc2c3ccn2)C4CCCC4
InChi:InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1
Synonyms:Ruxolitinib
Definition date:2014-07-31
Last modified:2021-03-01
Release date:2014-09-17
Identifier:(3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile
AKV
AKV
Name:{3-[(1R,3S)-1,3-DIHYDROXYPENTYL]-4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE
Formula:C22 H22 O8
SMILES:O=C2c1cccc(O)c1C(=O)c3c2cc(c(c3O)C(O)CC(O)CC)CC(=O)OC
InChi:InChI=1S/C22H22O8/c1-3-11(23)9-15(25)17-10(8-16(26)30-2)7-13-19(21(17)28)22(29)18-12(20(13)27)5-4-6-14(18)24/h4-7,11,15,23-25,28H,3,8-9H2,1-2H3/t11-,15+/m0/s1
Synonyms:DERIVATIVE OF AKLANONIC ACID METHYL ESTER (AAME)
Definition date:2006-02-07
Last modified:2021-03-01
Identifier:methyl {3-[(1R,3S)-1,3-dihydroxypentyl]-4,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl}acetate
W01
W01
Name:2,6-DIMETHYL-1-(3-[3-METHYL-5-ISOXAZOLYL]-PROPANYL)-4-[2N-METHYL-2H-TETRAZOL-5-YL]-PHENOL
Formula:C17 H21 N5 O2
SMILES:n1n(nnc1c3cc(c(OCCCc2onc(c2)C)c(c3)C)C)C
InChi:InChI=1S/C17H21N5O2/c1-11-8-14(17-18-21-22(4)19-17)9-12(2)16(11)23-7-5-6-15-10-13(3)20-24-15/h8-10H,5-7H2,1-4H3
Synonyms:WIN61209
Definition date:1999-07-08
Last modified:2021-03-01
Identifier:5-{3,5-dimethyl-4-[3-(3-methylisoxazol-5-yl)propoxy]phenyl}-2-methyl-2H-tetrazole
W02
W02
Name:2,6-DIMETHYL-1-(3-[3-METHYL-5-ISOXAZOLYL]-PROPANYL)-4-[4-METHYL-2H-TETRAZOL-2-YL]-PHENOL
Formula:C17 H21 N5 O2
SMILES:n1c(nnn1c3cc(c(OCCCc2onc(c2)C)c(c3)C)C)C
InChi:InChI=1S/C17H21N5O2/c1-11-8-15(22-19-14(4)18-21-22)9-12(2)17(11)23-7-5-6-16-10-13(3)20-24-16/h8-10H,5-7H2,1-4H3
Synonyms:WIN68934
Definition date:1999-07-20
Last modified:2021-03-01
Identifier:2-{3,5-dimethyl-4-[3-(3-methylisoxazol-5-yl)propoxy]phenyl}-5-methyl-2H-tetrazole
NHC
NHC
Name:(1R,2S,3R,4S)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
Formula:C10 H14 O5
SMILES:O=C(O)C1(C(C(=O)O)(C)C2OC1CC2)C
InChi:InChI=1S/C10H14O5/c1-9(7(11)12)5-3-4-6(15-5)10(9,2)8(13)14/h5-6H,3-4H2,1-2H3,(H,11,12)(H,13,14)/t5-,6+,9+,10-
Synonyms:Cantharidic acid
Definition date:2009-05-07
Last modified:2021-03-01
Identifier:(1R,2S,3R,4S)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
PYG
PYG
Name:BENZENE-1,2,3-TRIOL
Formula:C6 H6 O3
SMILES:Oc1cccc(O)c1O
InChi:InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H
Synonyms:PYROGALLOL
Definition date:2004-07-27
Last modified:2021-03-01
Identifier:benzene-1,2,3-triol
PYI
PYI
Name:1-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-3-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-2-METHYLPYRIDINIUM
Formula:C14 H21 N4 O7 P2
SMILES:O=P(O)(O)OP(=O)(O)OCCc1ccc[n+](c1C)Cc2cnc(nc2N)C
InChi:InChI=1S/C14H20N4O7P2/c1-10-12(5-7-24-27(22,23)25-26(19,20)21)4-3-6-18(10)9-13-8-16-11(2)17-14(13)15/h3-4,6,8H,5,7,9H2,1-2H3,(H4-,15,16,17,19,20,21,22,23)/p+1
Synonyms:PYRITHIAMIN PYROPHOSPHATE
Definition date:2005-11-17
Last modified:2021-03-01
Identifier:1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-2-methylpyridinium
AL2
AL2
Name:3,4-DIHYDRO-4-HYDROXY-2-(4-METHOXYPHENYL)-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE
Formula:C13 H14 N2 O6 S3
SMILES:O=S(=O)(c1sc3c(c1)C(O)CN(c2ccc(OC)cc2)S3(=O)=O)N
InChi:InChI=1S/C13H14N2O6S3/c1-21-9-4-2-8(3-5-9)15-7-11(16)10-6-12(23(14,17)18)22-13(10)24(15,19)20/h2-6,11,16H,7H2,1H3,(H2,14,17,18)/t11-/m0/s1
Synonyms:AL5424
Definition date:1999-07-08
Last modified:2021-03-01
Identifier:(4R)-4-hydroxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide
AL3
AL3
Name:3,4-DIHYDRO-4-HYDROXY-2-(2-THIENYMETHYL)-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE
Formula:C11 H12 N2 O5 S4
SMILES:O=S(=O)(c1sc3c(c1)C(O)CN(Cc2sccc2)S3(=O)=O)N
InChi:InChI=1S/C11H12N2O5S4/c12-21(15,16)10-4-8-9(14)6-13(5-7-2-1-3-19-7)22(17,18)11(8)20-10/h1-4,9,14H,5-6H2,(H2,12,15,16)/t9-/m0/s1
Synonyms:AL5300
Definition date:1999-07-08
Last modified:2021-03-01
Identifier:(4R)-4-hydroxy-2-(thiophen-2-ylmethyl)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide
AL4
AL4
Name:(R)-4-ETHYLAMINO-3,4-DIHYDRO-2-(2-METHOYLETHYL)-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE
Formula:C11 H19 N3 O5 S3
SMILES:O=S(=O)(c1sc2c(c1)C(NCC)CN(CCOC)S2(=O)=O)N
InChi:InChI=1S/C11H19N3O5S3/c1-3-13-9-7-14(4-5-19-2)22(17,18)11-8(9)6-10(20-11)21(12,15)16/h6,9,13H,3-5,7H2,1-2H3,(H2,12,15,16)/t9-/m0/s1
Synonyms:AL4623
Definition date:1999-07-08
Last modified:2021-03-01
Identifier:(4R)-4-(ethylamino)-2-(2-methoxyethyl)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide
NHL
NHL
Name:(4S)-4-(2-NAPHTHYLMETHYL)-D-GLUTAMIC ACID
Formula:C16 H17 N O4
SMILES:O=C(O)C(N)CC(C(=O)O)Cc2ccc1c(cccc1)c2
InChi:InChI=1S/C16H17NO4/c17-14(16(20)21)9-13(15(18)19)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,13-14H,8-9,17H2,(H,18,19)(H,20,21)/t13-,14+/m0/s1
Synonyms:GAMMA-2-NAPHTHYLMETHYL-D-GLUTAMIC ACID
Definition date:2007-01-18
Last modified:2021-03-01
Identifier:(4S)-4-(naphthalen-2-ylmethyl)-D-glutamic acid
P5B
P5B
Name:N-(ETHYLSULFONYL)TRYPTOPHYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}GLUTAMAMIDE
Formula:C26 H33 N7 O5 S
SMILES:O=C(NCc1ccc(C(=[N@H])N)cc1)C(NC(=O)C(NS(=O)(=O)CC)Cc3c2ccccc2nc3)CCC(=O)N
InChi:InChI=1S/C26H33N7O5S/c1-2-39(37,38)33-22(13-18-15-30-20-6-4-3-5-19(18)20)26(36)32-21(11-12-23(27)34)25(35)31-14-16-7-9-17(10-8-16)24(28)29/h3-10,15,21-22,30,33H,2,11-14H2,1H3,(H2,27,34)(H3,28,29)(H,31,35)(H,32,36)/t21-,22+/m0/s1
Synonyms:2-[2-ETHANESULFONYLAMINO-3-(1H-INDOL-3-YL)-PROPIONYLAMINO]-PENTANEDIOIC ACID 5-AMIDE 1-(4-CARBAMIM IDOYL-BENZYLAMIDE)
Definition date:2004-12-15
Last modified:2021-03-01
Identifier:N-(ethylsulfonyl)-D-tryptophyl-N~1~-(4-carbamimidoylbenzyl)-L-glutamamide

244693

数据于2025-11-12公开中

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