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SSO

SSO
Name:	1,4-DIDEOXY-1,4-[[2S,3S)-2,4-DIHYDROXY-3-(SULFOXY)BUTYL]EPISULFONIUMYLIDENE]-D-ARABINITOL INNER SALT
Formula:	C9 H18 O9 S2
SMILES:	[O-]S([O-])([O-])OC(CO)C(O)C[S+]1C(CO)C(O)C(O)C1
InChi:	InChI=1S/C9H20O9S2/c10-1-7(18-20(15,16)17)5(12)3-19-4-6(13)9(14)8(19)2-11/h5-14H,1-4H2,(H2-,15,16,17)/p-2/t5-,6-,7+,8-,9+,19-/m1/s1
Synonyms:	SALACINOL
Definition date:	2004-06-22
Last modified:	2021-03-01
Identifier:	({[(1S,2S)-3-[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-2-hydroxy-1-(hydroxymethyl)propyl]oxy}-lambda~4~-sulfanetriyl)trioxidanide (non-preferred name)

VOG

VOG
Name:	(1S,2S,3R,4S,5S)-5-[(1,3-dihydroxypropan-2-yl)amino]-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
Formula:	C10 H21 N O7
SMILES:	C1(CC(C(C(C1O)O)O)NC(CO)CO)(O)CO
InChi:	InChI=1S/C10H21NO7/c12-2-5(3-13)11-6-1-10(18,4-14)9(17)8(16)7(6)15/h5-9,11-18H,1-4H2/t6-,7-,8+,9-,10-/m0/s1
Synonyms:	voglibose
Definition date:	2018-01-30
Last modified:	2021-03-01
Release date:	2018-02-28
Identifier:	(1S,2S,3R,4S,5S)-5-[(1,3-dihydroxypropan-2-yl)amino]-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol

SSS

SSS
Name:	N-{[5-AMINO-1-(5-O-PHOSPHONO-BETA-D-ARABINOFURANOSYL)-1H-IMIDAZOL-4-YL]CARBONYL}-L-ASPARTIC ACID
Formula:	C13 H19 N4 O12 P
SMILES:	O=C(O)CC(C(=O)O)NC(=O)c1ncn(c1N)C2OC(C(O)C2O)COP(=O)(O)O
InChi:	InChI=1S/C13H19N4O12P/c14-10-7(11(22)16-4(13(23)24)1-6(18)19)15-3-17(10)12-9(21)8(20)5(29-12)2-28-30(25,26)27/h3-5,8-9,12,20-21H,1-2,14H2,(H,16,22)(H,18,19)(H,23,24)(H2,25,26,27)/t4-,5+,8+,9-,12+/m0/s1
Synonyms:	N-{[5-AMINO-1-(5-O-PHOSPHONO-BETA-D-ARABINOFURANOSYL)-1H-IMIDAZOL-4-YL]CARBONYL}-L-ASPARTIC ACID
Definition date:	2006-05-24
Last modified:	2021-03-01
Identifier:	N-{[5-amino-1-(5-O-phosphono-beta-D-arabinofuranosyl)-1H-imidazol-4-yl]carbonyl}-L-aspartic acid

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

ZMG

ZMG
Name:	(5R)-2-[(2-fluorophenyl)amino]-5-(1-methylethyl)-1,3-thiazol-4(5H)-one
Formula:	C12 H13 F N2 O S
SMILES:	Fc1ccccc1NC2=NC(=O)C(S2)C(C)C
InChi:	InChI=1S/C12H13FN2OS/c1-7(2)10-11(16)15-12(17-10)14-9-6-4-3-5-8(9)13/h3-7,10H,1-2H3,(H,14,15,16)/t10-/m1/s1
Synonyms:	(R)-2-(2-fluorophenylamino)-5-isopropylthiazol-4(5H)-one
Definition date:	2008-01-09
Last modified:	2021-03-01
Identifier:	(5R)-2-[(2-fluorophenyl)amino]-5-(1-methylethyl)-1,3-thiazol-4(5H)-one

JTB

JTB
Name:	4-chloranyl-2-(2~{H}-1,2,3-triazol-4-yl)phenol
Formula:	C8 H6 Cl N3 O
SMILES:	Oc1ccc(Cl)cc1c2cn[nH]n2
InChi:	InChI=1S/C8H6ClN3O/c9-5-1-2-8(13)6(3-5)7-4-10-12-11-7/h1-4,13H,(H,10,11,12)
Synonyms:	MMG-0358
Definition date:	2019-03-26
Last modified:	2021-03-01
Release date:	2019-10-02
Identifier:	4-chloranyl-2-(2~{H}-1,2,3-triazol-4-yl)phenol

1DB

1DB
Name:	1-DECANE-SULFONIC-ACID
Formula:	C10 H22 O3 S
SMILES:	O=S(=O)(O)CCCCCCCCCC
InChi:	InChI=1S/C10H22O3S/c1-2-3-4-5-6-7-8-9-10-14(11,12)13/h2-10H2,1H3,(H,11,12,13)
Synonyms:	DECANE-1-SULFONIC ACID
Definition date:	2006-02-23
Last modified:	2021-03-01
Identifier:	decane-1-sulfonic acid

QSB

QSB
Name:	3 bromo 4 hydroxybenzoic acid
Formula:	C7 H5 Br O3
SMILES:	OC(=O)c1ccc(O)c(Br)c1
InChi:	InChI=1S/C7H5BrO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,9H,(H,10,11)
Synonyms:	3-bromanyl-4-oxidanyl-benzoic acid
Definition date:	2020-07-31
Last modified:	2021-03-01
Release date:	2020-09-16
Identifier:	3-bromanyl-4-oxidanyl-benzoic acid

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

K85

K85
Name:	propan-2-yl 3-{3-[3-methoxy-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}propanoate
Formula:	C16 H18 F3 N3 O3
SMILES:	FC(F)(F)c2cc(c1ncn(n1)CCC(=O)OC(C)C)cc(OC)c2
InChi:	InChI=1S/C16H18F3N3O3/c1-10(2)25-14(23)4-5-22-9-20-15(21-22)11-6-12(16(17,18)19)8-13(7-11)24-3/h6-10H,4-5H2,1-3H3
Synonyms:	KPT-185
Definition date:	2012-08-23
Last modified:	2021-03-01
Release date:	2012-10-12
Identifier:	propan-2-yl 3-{3-[3-methoxy-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}propanoate

X3X

X3X
Name:	bis[(2S)-2,3-dihydroxypropyl] hydrogen phosphate
Formula:	C6 H15 O8 P
SMILES:	O=P(OCC(O)CO)(OCC(O)CO)O
InChi:	InChI=1S/C6H15O8P/c7-1-5(9)3-13-15(11,12)14-4-6(10)2-8/h5-10H,1-4H2,(H,11,12)/t5-,6-/m0/s1
Synonyms:	diglycerolphosphate
Definition date:	2013-10-14
Last modified:	2021-03-01
Release date:	2013-11-13
Identifier:	bis[(2S)-2,3-dihydroxypropyl] hydrogen phosphate

N32

N32
Name:	2,4-dihydroxy-3-({3-[(2S,4aS,8S,8aR)-8-methyl-3-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2H-2,4a-ethanonaphthalen-8-yl]propanoyl}amino)benzoic acid
Formula:	C24 H27 N O6
SMILES:	O=C(O)c1c(O)c(c(O)cc1)NC(=O)CCC3(C(=O)C=CC42CCC(/C(=C)C2)CC34)C
InChi:	InChI=1S/C24H27NO6/c1-13-12-24-9-5-14(13)11-17(24)23(2,18(27)6-10-24)8-7-19(28)25-20-16(26)4-3-15(21(20)29)22(30)31/h3-4,6,10,14,17,26,29H,1,5,7-9,11-12H2,2H3,(H,25,28)(H,30,31)/t14-,17-,23-,24+/m0/s1
Synonyms:	Platencin
Definition date:	2009-06-02
Last modified:	2021-03-01
Identifier:	2,4-dihydroxy-3-({3-[(2S,4aS,8S,8aR)-8-methyl-3-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2H-2,4a-ethanonaphthalen-8-yl]propanoyl}amino)benzoic acid

UGA

UGA
Name:	URIDINE-5'-DIPHOSPHATE-GLUCURONIC ACID
Formula:	C15 H22 N2 O18 P2
SMILES:	O=C(O)C3OC(OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(O)C2O)C(O)C(O)C3O
InChi:	InChI=1S/C15H22N2O18P2/c18-5-1-2-17(15(26)16-5)12-9(22)6(19)4(32-12)3-31-36(27,28)35-37(29,30)34-14-10(23)7(20)8(21)11(33-14)13(24)25/h1-2,4,6-12,14,19-23H,3H2,(H,24,25)(H,27,28)(H,29,30)(H,16,18,26)/t4-,6-,7+,8+,9-,10-,11+,12-,14-/m1/s1
Synonyms:	UDP-GLUCURONIC ACID
Definition date:	1999-12-13
Last modified:	2021-03-01
Identifier:	(2S,3S,4S,5R,6R)-6-{[(S)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid (non-preferred name)

UGC

UGC
Name:	(2S)-(carbamoylamino)(hydroxy)ethanoic acid
Formula:	C3 H6 N2 O4
SMILES:	O=C(O)C(O)NC(=O)N
InChi:	InChI=1S/C3H6N2O4/c4-3(9)5-1(6)2(7)8/h1,6H,(H,7,8)(H3,4,5,9)/t1-/m0/s1
Synonyms:	(S)-Ureidoglycolate
Definition date:	2014-04-09
Last modified:	2021-03-01
Release date:	2014-07-23
Identifier:	(2S)-(carbamoylamino)(hydroxy)ethanoic acid

UTX

UTX
Name:	2-cyano-3-((6-(((2-((2-cyanoethyl)(borocaptate-10B)sulfonio)acetyl)carbamoyl)oxy)hexyl)amino)quinoxaline 1,4-dioxide
Formula:	C21 H29 B12 N6 O5 S
SMILES:	ON1[CH](NCCCCCCOC(=O)NC(=O)C[SH](CCC#N)[B]2345[B]678[B]9%10%11[B]%12%13%14[B]69%15[B]%12%16%17[B]%13%18%19[B]%10%14%20[B]27%11[B]3%18%20[B]4%16%19[B]58%15%17)[CH](C#N)N(O)c%21ccccc1%21
InChi:	InChI=1S/C21H29B12N6O5S/c34-10-7-13-45(15-19(40)37-21(41)44-12-6-2-1-5-11-36-20-18(14-35)38(42)16-8-3-4-9-17(16)39(20)43)33-28-23-22-24(23,28)26(22)27(22)25(22,23)29(23,28,33)31(25,27,33)32(26,27,33)30(24,26,28)33/h3-4,8-9,18,20,36,42-43,45H,1-2,5-7,11-13,15H2,(H,37,40,41)/t18-,20+/m1/s1
Synonyms:	UTX-97
Definition date:	2016-12-08
Last modified:	2021-03-01
Release date:	2017-06-28

N3E

N3E
Name:	1-[3-(4-CARBOXYPIPERIDIN-1-YL)-3-DEOXY-BETA-D-ARABINOFURANOSYL]PYRIMIDINE-2,4(1H,3H)-DIONE
Formula:	C15 H21 N3 O7
SMILES:	O=C(O)C3CCN(C2C(OC(N1C(=O)NC(=O)C=C1)C2O)CO)CC3
InChi:	InChI=1S/C15H21N3O7/c19-7-9-11(17-4-1-8(2-5-17)14(22)23)12(21)13(25-9)18-6-3-10(20)16-15(18)24/h3,6,8-9,11-13,19,21H,1-2,4-5,7H2,(H,22,23)(H,16,20,24)/t9-,11-,12+,13-/m1/s1
Synonyms:	3-N-PIPERIDINE-4-CARBOXYL-3-DEOXY-ARA-URIDINE
Definition date:	2006-03-17
Last modified:	2021-03-01
Identifier:	1-[3-(4-carboxypiperidin-1-yl)-3-deoxy-beta-D-arabinofuranosyl]pyrimidine-2,4(1H,3H)-dione

VPD

VPD
Name:	6-chloro-N-cyclopentyl-1-{5-O-[(2R)-1-hydroxy-3-methoxy-2-phosphonopropan-2-yl]-beta-D-ribofuranosyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Formula:	C19 H29 Cl N5 O9 P
SMILES:	C(CO)(OCC1C(C(C(O1)n4c2c(c(nc(Cl)n2)NC3CCCC3)cn4)O)O)(COC)P(=O)(O)O
InChi:	InChI=1S/C19H29ClN5O9P/c1-32-9-19(8-26,35(29,30)31)33-7-12-13(27)14(28)17(34-12)25-16-11(6-21-25)15(23-18(20)24-16)22-10-4-2-3-5-10/h6,10,12-14,17,26-28H,2-5,7-9H2,1H3,(H,22,23,24)(H2,29,30,31)/t12-,13-,14-,17-,19-/m1/s1
Synonyms:	OP-0105244
Definition date:	2020-08-31
Last modified:	2021-03-01
Release date:	2020-09-23
Identifier:	6-chloro-N-cyclopentyl-1-{5-O-[(2R)-1-hydroxy-3-methoxy-2-phosphonopropan-2-yl]-beta-D-ribofuranosyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine

JEV

JEV
Name:	N-{2-[(8S)-1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl]ethyl}propanamide
Formula:	C16 H21 N O2
SMILES:	C(NC(CC)=O)CC3CCc2ccc1OCCc1c23
InChi:	InChI=1S/C16H21NO2/c1-2-15(18)17-9-7-12-4-3-11-5-6-14-13(16(11)12)8-10-19-14/h5-6,12H,2-4,7-10H2,1H3,(H,17,18)/t12-/m0/s1
Synonyms:	Ramelteon
Definition date:	2018-09-06
Last modified:	2021-03-01
Release date:	2019-04-24
Identifier:	N-{2-[(8S)-1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl]ethyl}propanamide

GWM

GWM
Name:	(4-methylphenyl) dihydrogen phosphate
Formula:	C7 H9 O4 P
SMILES:	Cc1ccc(O[P](O)(O)=O)cc1
InChi:	InChI=1S/C7H9O4P/c1-6-2-4-7(5-3-6)11-12(8,9)10/h2-5H,1H3,(H2,8,9,10)
Synonyms:	phosphoric acid mono-p-tolyl ester
Definition date:	2016-09-21
Last modified:	2021-03-01
Release date:	2017-07-12
Identifier:	(4-methylphenyl) dihydrogen phosphate

RZX

RZX
Name:	2-[(R)-{[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methyl}sulfinyl]-1H-benzimidazole
Formula:	C18 H21 N3 O3 S
SMILES:	O=S(c2nc1ccccc1n2)Cc3nccc(OCCCOC)c3C
InChi:	InChI=1S/C18H21N3O3S/c1-13-16(19-9-8-17(13)24-11-5-10-23-2)12-25(22)18-20-14-6-3-4-7-15(14)21-18/h3-4,6-9H,5,10-12H2,1-2H3,(H,20,21)/t25-/m1/s1
Synonyms:	Rabeprazole
Definition date:	2010-11-09
Last modified:	2021-03-01
Identifier:	2-[(R)-{[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methyl}sulfinyl]-1H-benzimidazole

L37

L37
Name:	[[N'-(2,5-DIAMINO-6-HYDROXY-PYRIMIDIN-4-YL)-UREAYL]-PHEN-4-YL]-CARBONYL-GLUTAMIC ACID
Formula:	C17 H19 N7 O7
SMILES:	O=C(O)C(NC(=O)c1ccc(cc1)NC(=O)Nc2nc(nc(O)c2N)N)CCC(=O)O
InChi:	InChI=1S/C17H19N7O7/c18-11-12(22-16(19)24-14(11)28)23-17(31)20-8-3-1-7(2-4-8)13(27)21-9(15(29)30)5-6-10(25)26/h1-4,9H,5-6,18H2,(H,21,27)(H,25,26)(H,29,30)(H5,19,20,22,23,24,28,31)/t9-/m0/s1
Synonyms:	LY374571
Definition date:	1999-12-15
Last modified:	2021-03-01
Identifier:	N-[(4-{[(2,5-diamino-6-hydroxypyrimidin-4-yl)carbamoyl]amino}phenyl)carbonyl]-L-glutamic acid

Z0M

Z0M
Name:	N-[(5R,6R,7R,8S)-6,7-DIHYDROXY-5-(HYDROXYMETHYL)-2-(2-PHENYLETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDIN-8-YL]-3-SULFANYLPROPANAMIDE
Formula:	C19 H25 N3 O4 S
SMILES:	O=C(NC2c1nc(cn1C(C(O)C2O)CO)CCc3ccccc3)CCS
InChi:	InChI=1S/C19H25N3O4S/c23-11-14-17(25)18(26)16(21-15(24)8-9-27)19-20-13(10-22(14)19)7-6-12-4-2-1-3-5-12/h1-5,10,14,16-18,23,25-27H,6-9,11H2,(H,21,24)/t14-,16-,17-,18-/m1/s1
Synonyms:	GLCNACSTATIN F
Definition date:	2010-08-26
Last modified:	2021-03-01
Identifier:	N-[(5R,6R,7R,8S)-6,7-dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-3-sulfanylpropanamide

L3A

L3A
Name:	(2R)-3-[(R)-[(1R)-1-amino-3-methylbutyl](hydroxy)phosphoryl]-2-methylpropanoic acid
Formula:	C9 H20 N O4 P
SMILES:	O=P(O)(C(N)CC(C)C)CC(C(=O)O)C
InChi:	InChI=1S/C9H20NO4P/c1-6(2)4-8(10)15(13,14)5-7(3)9(11)12/h6-8H,4-5,10H2,1-3H3,(H,11,12)(H,13,14)/t7-,8+/m0/s1
Synonyms:	L-LEU-D-ALA PHOSPHINATE PSEUDODIPEPTIDE
Definition date:	2010-06-18
Last modified:	2021-03-01
Identifier:	(2R)-3-[(R)-[(1R)-1-amino-3-methylbutyl](hydroxy)phosphoryl]-2-methylpropanoic acid

S02

S02
Name:	PHOSPHORIC ACID MONO-[2-(4-{2-[4-(2-HYDROXY-ETHOXY)-CYCLOHEXYLIDENE]-ETHYLIDENE}-CYCLOHEXYLOXY) -ETHYL] ESTER
Formula:	C18 H31 O7 P
SMILES:	O=P(O)(O)OCCOC2CC/C(=C/C=C1CCC(OCCO)CC1)CC2
InChi:	InChI=1S/C18H31O7P/c19-11-12-23-17-7-3-15(4-8-17)1-2-16-5-9-18(10-6-16)24-13-14-25-26(20,21)22/h1-2,17-19H,3-14H2,(H2,20,21,22)/b15-1-,16-2-/t17-,18-/m1/s1
Synonyms:	STILBENEDIETHER NUCLEOTIDE LINKER
Definition date:	1999-08-18
Last modified:	2021-03-01
Identifier:	2-{[(1R,4Z)-4-{(2Z)-2-[(4R)-4-(2-hydroxyethoxy)cyclohexylidene]ethylidene}cyclohexyl]oxy}ethyl dihydrogen phosphate

VPP

VPP
Name:	(2S,4S)-2-[(R)-carboxy{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
Formula:	C23 H29 N5 O8 S
SMILES:	O=C(NC(C(=O)O)C1SC(C(N1)C(=O)O)(C)C)C(c2ccccc2)NC(=O)N3C(=O)C(=O)N(CC)CC3
InChi:	InChI=1S/C23H29N5O8S/c1-4-27-10-11-28(19(31)18(27)30)22(36)25-13(12-8-6-5-7-9-12)16(29)24-14(20(32)33)17-26-15(21(34)35)23(2,3)37-17/h5-9,13-15,17,26H,4,10-11H2,1-3H3,(H,24,29)(H,25,36)(H,32,33)(H,34,35)/t13-,14+,15+,17+/m1/s1
Synonyms:	(5S)-Penicilloic Acid
Definition date:	2013-07-18
Last modified:	2021-03-01
Release date:	2013-11-06
Identifier:	(2S,4S)-2-[(R)-carboxy{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

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223166

數據於2024-07-31公開中

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