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BH7
BH7
Name:E-AMINO BIOTINYL CAPROIC ACID
Formula:C16 H27 N3 O4 S
SMILES:O=C1NC2C(SCC2N1)CCCCC(=O)NCCCCCC(=O)O
InChi:InChI=1S/C16H27N3O4S/c20-13(17-9-5-1-2-8-14(21)22)7-4-3-6-12-15-11(10-24-12)18-16(23)19-15/h11-12,15H,1-10H2,(H,17,20)(H,21,22)(H2,18,19,23)/t11-,12-,15-/m0/s1
Synonyms:6-[5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-4-YL)-PENTANOYLAMINO]-HEXANOIC ACID
Definition date:2002-04-15
Last modified:2020-06-17
Identifier:6-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexanoic acid
ZYU
ZYU
Name:6-MORPHOLIN-4-YL-9H-PURINE
Formula:C9 H11 N5 O
SMILES:n2cnc1c(ncn1)c2N3CCOCC3
InChi:InChI=1S/C9H11N5O/c1-3-15-4-2-14(1)9-7-8(11-5-10-7)12-6-13-9/h5-6H,1-4H2,(H,10,11,12,13)
Synonyms:4-(9H-PURIN-6-YL)MORPHOLINE
Definition date:2009-07-03
Last modified:2020-06-17
Identifier:6-morpholin-4-yl-9H-purine
ZYV
ZYV
Name:1-[(2S)-4-(7H-PURIN-6-YL)MORPHOLIN-2-YL]METHANAMINE
Formula:C10 H14 N6 O
SMILES:n1cnc3ncnc3c1N2CC(OCC2)CN
InChi:InChI=1S/C10H14N6O/c11-3-7-4-16(1-2-17-7)10-8-9(13-5-12-8)14-6-15-10/h5-7H,1-4,11H2,(H,12,13,14,15)/t7-/m0/s1
Synonyms:(4-(9H-PURIN-6-YL)MORPHOLIN-2-YL)METHANAMINE
Definition date:2009-07-03
Last modified:2020-06-17
Identifier:1-[(2S)-4-(7H-purin-6-yl)morpholin-2-yl]methanamine
BHE
BHE
Name:octyl 2-O-(6-deoxy-alpha-L-galactopyranosyl)-beta-D-galactopyranoside
Formula:C20 H38 O10
SMILES:O(CCCCCCCC)C2OC(C(O)C(O)C2OC1OC(C)C(O)C(O)C1O)CO
InChi:InChI=1S/C20H38O10/c1-3-4-5-6-7-8-9-27-20-18(16(25)14(23)12(10-21)29-20)30-19-17(26)15(24)13(22)11(2)28-19/h11-26H,3-10H2,1-2H3/t11-,12+,13+,14-,15+,16-,17-,18+,19-,20+/m0/s1
Synonyms:H-antigen acceptor
Definition date:2008-01-04
Last modified:2020-06-17
Identifier:octyl 2-O-(6-deoxy-alpha-L-galactopyranosyl)-beta-D-galactopyranoside
BHF
BHF
Name:2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE
Formula:C19 H12 O2
SMILES:O=C1c4c(OC(=C1)c2ccccc2)c3ccccc3cc4
InChi:InChI=1S/C19H12O2/c20-17-12-18(14-7-2-1-3-8-14)21-19-15-9-5-4-6-13(15)10-11-16(17)19/h1-12H
Synonyms:7,8-BENZOFLAVONE
Definition date:2006-06-30
Last modified:2020-06-17
Identifier:2-phenyl-4H-benzo[h]chromen-4-one
ZZ1
ZZ1
Name:4-METHYL-2H-CHROMEN-2-ONE
Formula:C10 H8 O2
SMILES:O=C2Oc1ccccc1C(=C2)C
InChi:InChI=1S/C10H8O2/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h2-6H,1H3
Synonyms:4-METHYLUMBELLIFERYL
Definition date:2006-03-24
Last modified:2020-06-17
Identifier:4-methyl-2H-chromen-2-one
ZIL
ZIL
Name:N-[(benzyloxy)carbonyl]-L-isoleucyl-L-leucine
Formula:C20 H30 N2 O5
SMILES:O=C(O)C(NC(=O)C(NC(=O)OCc1ccccc1)C(C)CC)CC(C)C
InChi:InChI=1S/C20H30N2O5/c1-5-14(4)17(18(23)21-16(19(24)25)11-13(2)3)22-20(26)27-12-15-9-7-6-8-10-15/h6-10,13-14,16-17H,5,11-12H2,1-4H3,(H,21,23)(H,22,26)(H,24,25)/t14-,16-,17-/m0/s1
Synonyms:Z-Ile-Leu
Definition date:2014-07-23
Last modified:2020-06-17
Release date:2014-10-08
Identifier:N-[(benzyloxy)carbonyl]-L-isoleucyl-L-leucine
ZZ2
ZZ2
Name:4-(2-methoxyethoxy)-6-methylpyrimidin-2-amine
Formula:C8 H13 N3 O2
SMILES:O(c1nc(nc(c1)C)N)CCOC
InChi:InChI=1S/C8H13N3O2/c1-6-5-7(11-8(9)10-6)13-4-3-12-2/h5H,3-4H2,1-2H3,(H2,9,10,11)
Synonyms:4-(2-methoxy-ethoxy)-6-methyl-pyrimidine-2-ylamine
Definition date:2009-05-08
Last modified:2020-06-17
Identifier:4-(2-methoxyethoxy)-6-methylpyrimidin-2-amine
BHN
BHN
Name:2-[2-[carboxymethyl-[(2-hydroxyphenyl)methyl]amino]ethyl-[(2-hydroxyphenyl)methyl]amino]ethanoic acid
Formula:C20 H24 N2 O6
SMILES:O=C(O)CN(Cc1ccccc1O)CCN(Cc2ccccc2O)CC(=O)O
InChi:InChI=1S/C20H24N2O6/c23-17-7-3-1-5-15(17)11-21(13-19(25)26)9-10-22(14-20(27)28)12-16-6-2-4-8-18(16)24/h1-8,23-24H,9-14H2,(H,25,26)(H,27,28)
Synonyms:N,N'-bis(2-hydroxybenzyl)ethylenediamine-N,N'-diacetic acid
Definition date:2010-05-26
Last modified:2020-06-17
Identifier:2,2'-{ethane-1,2-diylbis[(2-hydroxybenzyl)imino]}diacetic acid (non-preferred name)
HUL
HUL
Name:5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4H-chromen-4-one
Formula:C16 H12 O6
SMILES:O=C1c3c(O)c(OC)c(O)cc3OC(=C1)c2ccc(O)cc2
InChi:InChI=1S/C16H12O6/c1-21-16-11(19)7-13-14(15(16)20)10(18)6-12(22-13)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3
Synonyms:Hispidulin
Definition date:2015-01-08
Last modified:2020-06-17
Release date:2015-08-26
Identifier:5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4H-chromen-4-one
XD6
XD6
Name:(5Z)-13-CHLORO-14,16-DIHYDROXY-1,11-DIOXO-3,4,7,8,9,10,11,12-OCTAHYDRO-1H-2-BENZOXACYCLOTETRADECINE-6-CARBALDEHYDE
Formula:C18 H19 Cl O6
SMILES:O=C1OCCC=C(C=O)CCCCC(=O)Cc2c1c(O)cc(O)c2Cl
InChi:InChI=1S/C18H19ClO6/c19-17-13-8-12(21)6-2-1-4-11(10-20)5-3-7-25-18(24)16(13)14(22)9-15(17)23/h5,9-10,22-23H,1-4,6-8H2/b11-5-
Synonyms:RESORCYCLIC ACID MACROLACTONE
Definition date:2010-04-29
Last modified:2020-06-17
Identifier:(5Z)-13-chloro-14,16-dihydroxy-1,11-dioxo-3,4,7,8,9,10,11,12-octahydro-1H-2-benzoxacyclotetradecine-6-carbaldehyde
W35
W35
Name:5-(5-(4-(4,5-DIHYDRO-2-OXAZOLY)PHENOXY)PENTYL)-3-METHYL ISOXAZOLE
Formula:C18 H22 N2 O3
SMILES:N1=C(OCC1)c3ccc(OCCCCCc2onc(c2)C)cc3
InChi:InChI=1S/C18H22N2O3/c1-14-13-17(23-20-14)5-3-2-4-11-21-16-8-6-15(7-9-16)18-19-10-12-22-18/h6-9,13H,2-5,10-12H2,1H3
Synonyms:WIN VI
Definition date:1999-07-08
Last modified:2020-06-17
Identifier:5-{5-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl}-3-methylisoxazole
BI1
BI1
Name:3-{1-[3-(DIMETHYLAMINO)PROPYL]-1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE
Formula:C25 H24 N4 O2
SMILES:O=C5C(c2c1ccccc1nc2)=C(c4c3ccccc3n(c4)CCCN(C)C)C(=O)N5
InChi:InChI=1S/C25H24N4O2/c1-28(2)12-7-13-29-15-19(17-9-4-6-11-21(17)29)23-22(24(30)27-25(23)31)18-14-26-20-10-5-3-8-16(18)20/h3-6,8-11,14-15,26H,7,12-13H2,1-2H3,(H,27,30,31)
Synonyms:RBT205 INHIBITOR
Definition date:2003-12-16
Last modified:2020-06-17
Identifier:3-{1-[3-(dimethylamino)propyl]-1H-indol-3-yl}-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dione
BI3
BI3
Name:3-[1-(3-AMINOPROPYL)-1H-INDOL-3-YL]-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE
Formula:C23 H20 N4 O2
SMILES:O=C5C(c2c1ccccc1nc2)=C(c4c3ccccc3n(c4)CCCN)C(=O)N5
InChi:InChI=1S/C23H20N4O2/c24-10-5-11-27-13-17(15-7-2-4-9-19(15)27)21-20(22(28)26-23(21)29)16-12-25-18-8-3-1-6-14(16)18/h1-4,6-9,12-13,25H,5,10-11,24H2,(H,26,28,29)
Synonyms:INHIBITOR OF 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1
Definition date:2003-12-16
Last modified:2020-06-17
Identifier:3-[1-(3-aminopropyl)-1H-indol-3-yl]-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dione
XDL
XDL
Name:XYLOSE-DERIVED ISOFAGOMINE LACTAM
Formula:C5 H9 N O2
SMILES:O=C1NCCCC1O
InChi:InChI=1S/C5H9NO2/c7-4-2-1-3-6-5(4)8/h4,7H,1-3H2,(H,6,8)/t4-/m0/s1
Synonyms:(3S)-3-HYDROXYPIPERIDIN-2-ONE
Definition date:2003-02-14
Last modified:2020-06-17
Identifier:(3S)-3-hydroxypiperidin-2-one
XDR
XDR
Name:hexyl (5S,6R,8R)-6-hydroxy-5-methyl-13-oxo-5,6,7,8-tetrahydro-13H-5,8-epoxy-4b,8a,14-triazadibenzo[b,h]cycloocta[1,2,3,4-jkl]c yclopenta[e]-as-indacene-6-carboxylate
Formula:C32 H29 N3 O5
SMILES:O=C5N=Cc4c2c3n(c1ccccc12)C8(OC(n6c3c(c45)c7ccccc67)CC8(O)C(=O)OCCCCCC)C
InChi:InChI=1S/C32H29N3O5/c1-3-4-5-10-15-39-30(37)32(38)16-23-34-21-13-8-6-11-18(21)25-26-20(17-33-29(26)36)24-19-12-7-9-14-22(19)35(28(24)27(25)34)31(32,2)40-23/h6-9,11-14,17,23,38H,3-5,10,15-16H2,1-2H3/t23-,31+,32+/m1/s1
Synonyms:KT5720
Definition date:2008-11-12
Last modified:2020-06-17
Identifier:hexyl (5S,6R,8R)-6-hydroxy-5-methyl-13-oxo-5,6,7,8-tetrahydro-13H-5,8-epoxy-4b,8a,14-triazadibenzo[b,h]cycloocta[1,2,3,4-jkl]cyclopenta[e]-as-indacene-6-carboxylate
BID
BID
Name:BISTRAMIDE A
Formula:C40 H68 N2 O8
SMILES:O=C(/C=C/C)CC1OC(C(C)CC1)CC(=O)NCC(O)C(C(=O)NCCCC3OC2(OC(CCC2)CCC(C=C(/C)C(O)C)C)CCC3C)C
InChi:InChI=1S/C40H68N2O8/c1-8-11-32(44)23-34-17-15-27(3)37(48-34)24-38(46)42-25-35(45)30(6)39(47)41-21-10-13-36-28(4)18-20-40(50-36)19-9-12-33(49-40)16-14-26(2)22-29(5)31(7)43/h8,11,22,26-28,30-31,33-37,43,45H,9-10,12-21,23-25H2,1-7H3,(H,41,47)(H,42,46)/b11-8+,29-22+/t26-,27-,28-,30-,31-,33-,34+,35-,36+,37-,40-/m0/s1
Synonyms:(2S,3R)-3-HYDROXY-N-(3-{(2R,3S,6S,8S)-8-[(3S,4E,6S)-6-HYDROXY-3,5-DIMETHYLHEPT-4-EN-1-YL]-3-METHYL-1,7-DIOXASPIRO[5.5]U NDEC-2-YL}PROPYL)-2-METHYL-4-[({(2S,3S,6R)-3-METHYL-6-[(3E)-2-OXOPENT-3-EN-1-YL]TETRAHYDRO-2H-PYRAN-2-YL}ACETYL)AMINO]BU TANAMIDE
Definition date:2006-02-09
Last modified:2020-06-17
Identifier:(2S,3R)-3-hydroxy-N-(3-{(2R,3S,6S,8S)-8-[(3S,4E,6S)-6-hydroxy-3,5-dimethylhept-4-en-1-yl]-3-methyl-1,7-dioxaspiro[5.5]undec-2-yl}propyl)-2-methyl-4-[({(2S,3S,6R)-3-methyl-6-[(3E)-2-oxopent-3-en-1-yl]tetrahydro-2H-pyran-2-yl}acetyl)amino]butanamide
ZZZ
ZZZ
Name:6-FORMYLTETRAHYDROPTERIN
Formula:C7 H9 N5 O2
SMILES:O=CC1NC=2C(=O)NC(=NC=2NC1)N
InChi:InChI=1S/C7H9N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h2-3,10H,1H2,(H4,8,9,11,12,14)/t3-/m1/s1
Synonyms:(6S)-2-AMINO-4-OXO-3,4,5,6,7,8-HEXAHYDROPTERIDINE-6-CARBALDEHYDE
Definition date:2006-02-21
Last modified:2020-06-17
Identifier:(6R)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridine-6-carbaldehyde
BIH
BIH
Name:NAPHTHALENE-2,6-DISULFONIC ACID
Formula:C10 H8 O6 S2
SMILES:O=S(=O)(O)c1ccc2c(c1)ccc(c2)S(=O)(=O)O
InChi:InChI=1S/C10H8O6S2/c11-17(12,13)9-3-1-7-5-10(18(14,15)16)4-2-8(7)6-9/h1-6H,(H,11,12,13)(H,14,15,16)
Synonyms:2,6-NAPHTHALENEDISULFONIC ACID
Definition date:2004-08-11
Last modified:2020-06-17
Identifier:naphthalene-2,6-disulfonic acid
Y5P
Y5P
Name:1-(5-O-phosphono-beta-D-ribofuranosyl)-1,4-dihydropyrimidine
Formula:C9 H15 N2 O7 P
SMILES:O=P(O)(O)OCC2OC(N1C=NCC=C1)C(O)C2O
InChi:InChI=1S/C9H15N2O7P/c12-7-6(4-17-19(14,15)16)18-9(8(7)13)11-3-1-2-10-5-11/h1,3,5-9,12-13H,2,4H2,(H2,14,15,16)/t6-,7-,8-,9-/m1/s1
Synonyms:PYRIMIDINE RIBOSIDE-5'-MONOPHOSPHATE
Definition date:2014-09-25
Last modified:2020-06-17
Release date:2014-10-08
Identifier:1-(5-O-phosphono-beta-D-ribofuranosyl)-1,4-dihydropyrimidine
HVG
HVG
Name:4-[(S)-amino(carboxy)methyl]benzene-1,2-dicarboxylic acid
Formula:C10 H9 N O6
SMILES:C(=O)(O)c1ccc(cc1C(O)=O)C(C(O)=O)N
InChi:InChI=1S/C10H9NO6/c11-7(10(16)17)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3,7H,11H2,(H,12,13)(H,14,15)(H,16,17)/t7-/m0/s1
Synonyms:(S)-3,4-Dicarboxyphenylglycine (DCPG)
Definition date:2018-07-24
Last modified:2020-06-17
Release date:2018-11-07
Identifier:4-[(S)-amino(carboxy)methyl]benzene-1,2-dicarboxylic acid
BIK
BIK
Name:3,7-DIHYDROXY-2-NAPHTHOIC ACID
Formula:C11 H8 O4
SMILES:O=C(O)c2cc1c(ccc(O)c1)cc2O
InChi:InChI=1S/C11H8O4/c12-8-2-1-6-5-10(13)9(11(14)15)4-7(6)3-8/h1-5,12-13H,(H,14,15)
Synonyms:3,7-DIHYDROXYNAPHTHALENE-2-CARBOXYLIC ACID
Definition date:2004-08-11
Last modified:2020-06-17
Identifier:3,7-dihydroxynaphthalene-2-carboxylic acid
VPA
VPA
Name:2-phenyl-N-(6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)ethylamidine
Formula:C19 H28 N2 O9
SMILES:O(CC2OC(NC(=[N@H])Cc1ccccc1)C(O)C(O)C2O)C3OCC(O)C(O)C3O
InChi:InChI=1S/C19H28N2O9/c20-12(6-9-4-2-1-3-5-9)21-18-16(26)15(25)14(24)11(30-18)8-29-19-17(27)13(23)10(22)7-28-19/h1-5,10-11,13-19,22-27H,6-8H2,(H2,20,21)/t10-,11-,13+,14-,15+,16-,17-,18-,19+/m1/s1
Synonyms:2-phenyl-N-[(2R,3R,4S,5S,6R)-3,4,5-tris(oxidanyl)-6-[[(2S,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]oxan-2-yl]e thanimidamide
Definition date:2014-01-31
Last modified:2020-06-17
Release date:2014-04-23
Identifier:N-[(1E)-2-phenylethanimidoyl]-6-O-beta-D-xylopyranosyl-beta-D-glucopyranosylamine
VPC
VPC
Name:Phthalocyanine containing GA
Formula:C32 H16 Ga N8
SMILES:[Ga]1N2C3=NC4=NC(=Nc5n1c(N=C6N=C(N=C2c7ccccc37)c8ccccc68)c9ccccc59)c%10ccccc4%10
InChi:InChI=1S/C32H16N8.Ga/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25
Synonyms:Gallium(III)-phthalocyanine
Definition date:2017-05-17
Last modified:2020-06-17
Release date:2017-12-06
ZK1
ZK1
Name:{[7-morpholin-4-yl-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2H)-yl]methyl}phosphonic acid
Formula:C14 H15 F3 N3 O6 P
SMILES:O[P](O)(=O)CN1C(=O)C(=O)Nc2cc(c(cc12)N3CCOCC3)C(F)(F)F
InChi:InChI=1S/C14H15F3N3O6P/c15-14(16,17)8-5-9-11(6-10(8)19-1-3-26-4-2-19)20(7-27(23,24)25)13(22)12(21)18-9/h5-6H,1-4,7H2,(H,18,21)(H2,23,24,25)
Synonyms:[[3,4-Dihydro-7-(4-morpholinyl)-2,3-dioxo-6-(trifluorom ethyl)-1(2H)-quinoxalinyl]methyl]phosphonic acid
Definition date:2009-11-13
Last modified:2020-06-17
Identifier:[7-morpholin-4-yl-2,3-dioxo-6-(trifluoromethyl)-4H-quinoxalin-1-yl]methylphosphonic acid

245011

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