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13H
13H
Name:(9Z,11E,13S)-13-HYDROXYOCTADECA-9,11-DIENOIC ACID
Formula:C18 H32 O3
SMILES:O=C(O)CCCCCCC/C=CC=CC(O)CCCCC
InChi:InChI=1/C18H32O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,12,15,17,19H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b9-7-,15-12+/t17-/m0/s1/f/h20H
Definition date:2008-04-29
Last modified:2008-10-14
Identifier:(9Z,11E,13S)-13-hydroxyoctadeca-9,11-dienoic acid
GCL
GCL
Name:1-CYCLOHEXYL-2-AMINO-3,4-DIHYDROXY-6-METHYLHEPTANE
Formula:C14 H29 N O2
SMILES:OC(CC(C)C)C(O)C(N)CC1CCCCC1
InChi:InChI=1/C14H29NO2/c1-10(2)8-13(16)14(17)12(15)9-11-6-4-3-5-7-11/h10-14,16-17H,3-9,15H2,1-2H3/t12-,13-,14+/m0/s1
Definition date:1999-07-08
Last modified:2008-10-14
Identifier:(2S,3R,4S)-2-amino-1-cyclohexyl-6-methylheptane-3,4-diol
GDB
GDB
Name:1-(S-GLUTATHIONYL)-2,4-DINITROBENZENE
Formula:C16 H19 N5 O10 S
SMILES:O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSc1ccc(cc1N(=O)=O)N(=O)=O
InChi:InChI=1/C16H19N5O10S/c17-9(16(26)27)2-4-13(22)19-10(15(25)18-6-14(23)24)7-32-12-3-1-8(20(28)29)5-11(12)21(30)31/h1,3,5,9-10H,2,4,6-7,17H2,(H,18,25)(H,19,22)(H,23,24)(H,26,27)/t9-,10-/m0/s1/f/h18-19,23,26H
Definition date:1999-07-08
Last modified:2008-10-14
Identifier:L-gamma-glutamyl-S-(2,4-dinitrophenyl)-L-cysteinylglycine
GLB
GLB
Name:BETA-D-GALACTOSE
Formula:C6 H12 O6
SMILES:OC1C(O)C(OC(O)C1O)CO
InChi:InChI=1/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6-/m1/s1
Definition date:1999-07-08
Last modified:2008-10-14
Identifier:beta-D-galactopyranose
GLW
GLW
Name:6-DEOXYGLUCOSE
Formula:C6 H12 O5
SMILES:OC1C(O)C(OC(O)C1O)C
InChi:InChI=1/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5-,6+/m1/s1
Definition date:2001-12-06
Last modified:2008-10-14
Identifier:6-deoxy-alpha-D-glucopyranose
GS4
GS4
Name:4-THIO-BETA-D-GLUCOPYRANOSE
Formula:C6 H12 O5 S
SMILES:OC1C(S)C(OC(O)C1O)CO
InChi:InChI=1/C6H12O5S/c7-1-2-5(12)3(8)4(9)6(10)11-2/h2-10,12H,1H2/t2-,3-,4-,5-,6-/m1/s1
Definition date:2001-11-26
Last modified:2008-10-14
Identifier:4-thio-beta-D-glucopyranose
GSA
GSA
Name:O4-SULFONYLGALACTOSE
Formula:C6 H12 O9 S
SMILES:O=S(=O)(O)OC1C(OC(O)C(O)C1O)CO
InChi:InChI=1/C6H12O9S/c7-1-2-5(15-16(11,12)13)3(8)4(9)6(10)14-2/h2-10H,1H2,(H,11,12,13)/t2-,3-,4-,5+,6-/m1/s1/f/h11H
Definition date:1999-07-08
Last modified:2008-10-14
Identifier:4-O-sulfo-beta-D-galactopyranose
GSD
GSD
Name:4-THIO-D-GLUCOSE
Formula:C6 H12 O5 S
SMILES:OC1C(S)C(OC(O)C1O)CO
InChi:InChI=1/C6H12O5S/c7-1-2-5(12)3(8)4(9)6(10)11-2/h2-10,12H,1H2/t2-,3-,4-,5-,6?/m1/s1
Definition date:2001-03-30
Last modified:2008-10-14
Identifier:4-thio-beta-D-glucopyranose
GTN
GTN
Name:PHOSPHOAMINOPHOSPHONIC ACID GUANYLATE ESTER
Formula:C10 H17 N6 O13 P3
SMILES:O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
InChi:InChI=1/C10H17N6O13P3/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24)/t3-,5-,6-,9-/m1/s1/f/h14-15,20-21,23,25H,11H2
Definition date:1999-07-08
Last modified:2008-10-14
Identifier:5'-O-[(S)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]guanosine
GTO
GTO
Name:PHOSPHOMETHYLPHOSPHONIC ACID-GUANYLATE ESTER
Formula:C11 H18 N5 O13 P3
SMILES:O=P(O)(O)CP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
InChi:InChI=1/C11H18N5O13P3/c12-11-14-8-5(9(19)15-11)13-2-16(8)10-7(18)6(17)4(28-10)1-27-32(25,26)29-31(23,24)3-30(20,21)22/h2,4,6-7,10,17-18H,1,3H2,(H,23,24)(H,25,26)(H2,20,21,22)(H3,12,14,15,19)/t4-,6-,7-,10-/m1/s1/f/h15,20-21,23,25H,12H2
Definition date:1999-07-08
Last modified:2008-10-14
Identifier:5'-O-[(S)-hydroxy{[(R)-hydroxy(phosphonomethyl)phosphoryl]oxy}phosphoryl]guanosine
GUR
GUR
Name:GLYCOLURIL
Formula:C4 H6 N4 O2
SMILES:O=C1NC2NC(=O)NC2N1
InChi:InChI=1/C4H6N4O2/c9-3-5-1-2(7-3)8-4(10)6-1/h1-2H,(H2,5,7,9)(H2,6,8,10)/t1-,2+/f/h5-8H
Definition date:1999-07-08
Last modified:2008-10-14
Identifier:cis-tetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione
345
345
Name:4-[4-(4-CHLORO-PHENOXY)-BENZENESULFONYL]-4-METHYL-TETRAHYDRO-PYRAN;COMPOUND WITH N-HYDROXY-ACETAMIDE
Formula:C19 H20 Cl N O6 S
SMILES:O=S(=O)(c2ccc(Oc1ccc(Cl)cc1)cc2)C3(CC(=O)NO)CCOCC3
InChi:InChI=1/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)19(13-18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22)/f/h21H
Definition date:1999-07-08
Last modified:2008-10-14
Identifier:2-(4-{[4-(4-chlorophenoxy)phenyl]sulfonyl}tetrahydro-2H-pyran-4-yl)-N-hydroxyacetamide
HAA
HAA
Name:2-(3,4-DIHYDROXYPHENYL)ACETIC ACID
Formula:C8 H8 O4
SMILES:O=C(O)Cc1cc(O)c(O)cc1
InChi:InChI=1/C8H8O4/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)/f/h11H
Definition date:1999-07-08
Last modified:2008-10-14
Identifier:(3,4-dihydroxyphenyl)acetic acid
HGC
HGC
Name:METHYL MERCURY ION
Formula:C H3 Hg
SMILES:[Hg+]C
InChi:InChI=1/CH3.Hg/h1H3
Definition date:1999-08-31
Last modified:2008-10-14
Identifier:methylmercury(1+)
2OG
2OG
Name:2-OXO-GLUTARIC ACID
Formula:C5 H6 O5
SMILES:O=C(O)C(=O)CCC(=O)O
InChi:InChI=1/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)/f/h7,9H
Definition date:1999-07-08
Last modified:2008-10-14
Identifier:2-oxopentanedioic acid
INY
INY
Name:CARPROPAMIDE
Formula:C15 H18 Cl3 N O
SMILES:O=C(NC(c1ccc(Cl)cc1)C)C2(CC)C(C)C2(Cl)Cl
InChi:InChI=1/C15H18Cl3NO/c1-4-14(10(3)15(14,17)18)13(20)19-9(2)11-5-7-12(16)8-6-11/h5-10H,4H2,1-3H3,(H,19,20)/t9-,10-,14+/m1/s1/f/h19H
Definition date:1999-07-08
Last modified:2008-10-14
Identifier:(1S,3R)-2,2-dichloro-N-[(1R)-1-(4-chlorophenyl)ethyl]-1-ethyl-3-methylcyclopropanecarboxamide
ITS
ITS
Name:INOSITOL 1,3,4,5-TETRAKISPHOSPHATE
Formula:C6 H16 O18 P4
SMILES:O=P(OC1C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C(O)C1OP(=O)(O)O)(O)O
InChi:InChI=1/C6H16O18P4/c7-1-3(21-25(9,10)11)2(8)5(23-27(15,16)17)6(24-28(18,19)20)4(1)22-26(12,13)14/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2-,3-,4+,5-,6-/m0/s1/f/h9-10,12-13,15-16,18-19H
Definition date:1999-07-08
Last modified:2008-10-14
Identifier:(1R,2S,3S,4S,5S,6S)-4,6-dihydroxycyclohexane-1,2,3,5-tetrayl tetrakis[dihydrogen (phosphate)]
450
450
Name:{[4-R(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-1,3-BIS([3-AMINO)PHENYL]METHYL-4,7-BIA(PHENYLMETHYL)-2H-1,3-DIAZEPINONE
Formula:C33 H38 N4 O3
SMILES:OC2C(N(Cc1cccc(N)c1)C(O)N(C(C2O)Cc3ccccc3)Cc4cccc(N)c4)Cc5ccccc5
InChi:InChI=1/C33H38N4O3/c34-27-15-7-13-25(17-27)21-36-29(19-23-9-3-1-4-10-23)31(38)32(39)30(20-24-11-5-2-6-12-24)37(33(36)40)22-26-14-8-16-28(35)18-26/h1-18,29-33,38-40H,19-22,34-35H2/t29-,30-,31+,32+/m1/s1
Synonyms:DMP450
Definition date:1999-07-08
Last modified:2008-10-14
Identifier:(4R,5S,6S,7R)-1,3-bis(3-aminobenzyl)-4,7-dibenzyl-1,3-diazepane-2,5,6-triol
0AT
0AT
Name:2-(acetylamino)-2-deoxy-6-O-phosphono-alpha-D-glucopyranose
Formula:C8 H16 N O9 P
SMILES:O=P(O)(O)OCC1OC(O)C(NC(=O)C)C(O)C1O
InChi:InChI=1/C8H16NO9P/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H2,14,15,16)/t4-,5-,6-,7-,8+/m1/s1/f/h9,14-15H
Definition date:2007-11-11
Last modified:2008-10-14
Identifier:2-(acetylamino)-2-deoxy-6-O-phosphono-alpha-D-glucopyranose
5SA
5SA
Name:ACARBOSE DERIVED PENTASACCHARIDE
Formula:C31 H53 N O23
SMILES:O(C3C(=CC(NC2C(OC(OC1C(O)C(O)C(O)OC1CO)C(O)C2O)C)C(O)C3O)CO)C5OC(C(OC4OC(CO)C(O)C(O)C4O)C(O)C5O)CO
InChi:InChI=1/C31H53NO23/c1-7-13(16(39)22(45)29(49-7)54-26-11(5-35)50-28(48)21(44)19(26)42)32-9-2-8(3-33)25(18(41)14(9)37)53-31-24(47)20(43)27(12(6-36)52-31)55-30-23(46)17(40)15(38)10(4-34)51-30/h2,7,9-48H,3-6H2,1H3/t7-,9+,10-,11-,12-,13-,14+,15-,16+,17+,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28+,29-,30-,31-/m1/s1
Synonyms:4-O-(4,6-DIDEOXY-4-{[4-[(4-O-ALPHA-D-ERYTHRO-HEXOPYRANOSYL-ALPHA-D-ERYTHRO-HEXOPYRANOSYL)OXY]-5,6-DIHYDROXY-3-(HYDROXYMETHYL)CYCLOHEX-2-EN-1-YL]AMINO}-BETA-D-LYXO-HEXOPYRANOSYL)-ALPHA-D-ARABINO-HEXOPYRANOSE
Definition date:2004-09-15
Last modified:2008-10-14
Identifier:4-O-(4,6-dideoxy-4-{[(1S,4R,5R,6S)-4-[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]-5,6-dihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranosyl)-alpha-D-glucopyranose
638
638
Name:[4R-(4ALPHA,5ALPHA,6BETA,7BETA)]-3,3'-[[TETRAHYDRO-5,6-DIHYDROXY-2-OXO-4,7-BIS(PHENYLMETHYL)-1H-1,3-DIAZEPINE-1,3(2H)-DIYL]BIS(METHYLENE)]BIS[N-2-THIAZOLYLBENZAMIDE]
Formula:C41 H38 N6 O5 S2
SMILES:O=C(c1cccc(c1)CN5C(=O)N(Cc3cc(C(=O)Nc2nccs2)ccc3)C(Cc4ccccc4)C(O)C(O)C5Cc6ccccc6)Nc7nccs7
InChi:InChI=1/C41H38N6O5S2/c48-35-33(23-27-9-3-1-4-10-27)46(25-29-13-7-15-31(21-29)37(50)44-39-42-17-19-53-39)41(52)47(34(36(35)49)24-28-11-5-2-6-12-28)26-30-14-8-16-32(22-30)38(51)45-40-43-18-20-54-40/h1-22,33-36,48-49H,23-26H2,(H,42,44,50)(H,43,45,51)/t33-,34-,35+,36+/m1/s1/f/h44-45H
Synonyms:XV638
Definition date:1999-07-08
Last modified:2008-10-14
Identifier:3,3'-{[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-1,3-diazepane-1,3-diyl]dimethanediyl}bis(N-1,3-thiazol-2-ylbenzamide)
6AB
6AB
Name:6-AMINOBENZOIC ACID
Formula:C7 H7 N O2
SMILES:O=C(O)c1ccccc1N
InChi:InChI=1/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10)/f/h9H
Definition date:1999-07-19
Last modified:2008-10-14
Identifier:2-aminobenzoic acid
AC4
AC4
Name:AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE
Formula:C9 H15 N4 O8 P
SMILES:O=C(c1ncn(c1N)C2OC(C(O)C2O)COP(=O)(O)O)N
InChi:InChI=1/C9H15N4O8P/c10-7-4(8(11)16)12-2-13(7)9-6(15)5(14)3(21-9)1-20-22(17,18)19/h2-3,5-6,9,14-15H,1,10H2,(H2,11,16)(H2,17,18,19)/t3-,5-,6-,9-/m1/s1/f/h17-18H,11H2
Synonyms:AICAR
Definition date:2002-08-14
Last modified:2008-10-14
Identifier:5-amino-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazole-4-carboxamide
ADG
ADG
Name:O-3-AMINO-3-DEOXY-ALPHA-D-GLUCOPYRANOSE
Formula:C6 H14 N O5
SMILES:OC1C([NH3+])C(O)C(OC1O)CO
InChi:InChI=1/C6H13NO5/c7-3-4(9)2(1-8)12-6(11)5(3)10/h2-6,8-11H,1,7H2/p+1/t2-,3+,4-,5-,6+/m1/s1/fC6H14NO5/h7H/q+1
Definition date:1999-07-08
Last modified:2008-10-14
Identifier:3-ammonio-3-deoxy-alpha-D-glucopyranose
AFL
AFL
Name:ALPHA-L-FUCOSE
Formula:C6 H12 O5
SMILES:OC1C(O)C(OC(O)C1O)C
InChi:InChI=1/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6?/m0/s1
Definition date:2002-09-19
Last modified:2008-10-14
Identifier:6-deoxy-beta-L-galactopyranose

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數據於2024-10-16公開中

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