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D9A
D9A
Name:N-{[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl}-L-aspartic acid
Formula:C28 H33 Cl N2 O9
SMILES:O=C(O)C(NC(=O)CC2OC(c1c(ccc(Cl)c1)N(C2=O)CC(C)(C)C)c3cccc(OC)c3OC)CC(=O)O
InChi:InChI=1S/C28H33ClN2O9/c1-28(2,3)14-31-19-10-9-15(29)11-17(19)24(16-7-6-8-20(38-4)25(16)39-5)40-21(26(31)35)13-22(32)30-18(27(36)37)12-23(33)34/h6-11,18,21,24H,12-14H2,1-5H3,(H,30,32)(H,33,34)(H,36,37)/t18-,21+,24+/m0/s1
Definition date:2011-01-12
Last modified:2011-12-16
Identifier:N-{[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl}-L-aspartic acid
3TD
3TD
Name:(1S)-1,4-anhydro-1-(3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-O-phosphono-D-ribitol
Formula:C10 H15 N2 O9 P
SMILES:O=C1NC=C(C(=O)N1C)C2OC(COP(=O)(O)O)C(O)C2O
InChi:InChI=1S/C10H15N2O9P/c1-12-9(15)4(2-11-10(12)16)8-7(14)6(13)5(21-8)3-20-22(17,18)19/h2,5-8,13-14H,3H2,1H3,(H,11,16)(H2,17,18,19)/t5-,6-,7-,8+/m1/s1
Definition date:2011-01-18
Last modified:2011-12-14
Identifier:(1S)-1,4-anhydro-1-(3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-O-phosphono-D-ribitol
BA4
BA4
Name:[[(3R,4R,5S,6R)-3-(butanoylamino)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-ylidene]amino] N-phenylcarbamate
Formula:C17 H23 N3 O7
SMILES:O=C(ON=C1/OC(CO)C(O)C(O)C1NC(=O)CCC)Nc2ccccc2
InChi:InChI=1S/C17H23N3O7/c1-2-6-12(22)19-13-15(24)14(23)11(9-21)26-16(13)20-27-17(25)18-10-7-4-3-5-8-10/h3-5,7-8,11,13-15,21,23-24H,2,6,9H2,1H3,(H,18,25)(H,19,22)/b20-16-/t11-,13-,14-,15-/m1/s1
Synonyms:N-butyryl-PUGNAc
Definition date:2009-04-15
Last modified:2011-12-12
Identifier:N-[(2Z,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-{[(phenylcarbamoyl)oxy]imino}tetrahydro-2H-pyran-3-yl]butanamide (non-preferred name)
CB2
CB2
Name:PHOSPHORIC ACID MONO-[5-(4-AMINO-5-BROMO-2-OXO-2H-PYRIMIDIN-1-YL)-3,4-DIHYDROXY-TETRAHYDRO-FURAN-2-YLMETHYL] ESTER
Formula:C9 H13 Br N3 O8 P
SMILES:BrC=1C(=NC(=O)N(C=1)C2OC(C(O)C2O)COP(=O)(O)O)N
InChi:InChI=1S/C9H13BrN3O8P/c10-3-1-13(9(16)12-7(3)11)8-6(15)5(14)4(21-8)2-20-22(17,18)19/h1,4-6,8,14-15H,2H2,(H2,11,12,16)(H2,17,18,19)/t4-,5-,6+,8-/m1/s1
Synonyms:5-BROMO-CYTIDINEMONOPHOSPHATE
Definition date:2003-05-19
Last modified:2011-12-12
Identifier:4-amino-5-bromo-1-(5-O-phosphono-beta-D-arabinofuranosyl)pyrimidin-2(1H)-one
I85
I85
Name:N-{4-[(3S)-4'-oxo-1',4',5',6'-tetrahydrospiro[piperidine-3,7'-pyrrolo[3,2-c]pyridin]-2'-yl]pyridin-2-yl}-3-(trifluoromethyl)benzamide
Formula:C24 H22 F3 N5 O2
SMILES:FC(F)(F)c1cccc(c1)C(=O)Nc2nccc(c2)c5nc3c(C(=O)NCC34CNCCC4)c5
InChi:InChI=1S/C24H22F3N5O2/c25-24(26,27)16-4-1-3-15(9-16)21(33)32-19-10-14(5-8-29-19)18-11-17-20(31-18)23(13-30-22(17)34)6-2-7-28-12-23/h1,3-5,8-11,28,31H,2,6-7,12-13H2,(H,30,34)(H,29,32,33)/t23-/m0/s1
Definition date:2011-06-17
Last modified:2011-12-09
Identifier:N-{4-[(3S)-4'-oxo-1',4',5',6'-tetrahydrospiro[piperidine-3,7'-pyrrolo[3,2-c]pyridin]-2'-yl]pyridin-2-yl}-3-(trifluoromethyl)benzamide
RX6
RX6
Name:methyl (2-{(R)-(3-chlorophenyl)[(3R)-1-({(2S)-1-(methylamino)-3-[(3R)-tetrahydro-2H-pyran-3-yl]propan-2-yl}carbamoyl)piperidin-3-yl]methoxy}ethyl)carbamate
Formula:C26 H41 Cl N4 O5
SMILES:Clc1cccc(c1)C(OCCNC(=O)OC)C3CCCN(C(=O)NC(CC2CCCOC2)CNC)C3
InChi:InChI=1S/C26H41ClN4O5/c1-28-16-23(14-19-6-5-12-35-18-19)30-25(32)31-11-4-8-21(17-31)24(20-7-3-9-22(27)15-20)36-13-10-29-26(33)34-2/h3,7,9,15,19,21,23-24,28H,4-6,8,10-14,16-18H2,1-2H3,(H,29,33)(H,30,32)/t19-,21-,23+,24+/m1/s1
Definition date:2011-02-14
Last modified:2011-11-25
Identifier:methyl (2-{(R)-(3-chlorophenyl)[(3R)-1-({(2S)-1-(methylamino)-3-[(3R)-tetrahydro-2H-pyran-3-yl]propan-2-yl}carbamoyl)piperidin-3-yl]methoxy}ethyl)carbamate
Q9G
Q9G
Name:5-(5-FLUORO-2-METHYLPHENYL)-6,7,8,9-TETRAHYDRO-3H-PYRAZOLO[3,4-C]ISOQUINOLIN-1-AMINE
Formula:C17 H17 F N4
SMILES:Cc1ccc(F)cc1c2nc3[nH]nc(N)c3c4CCCCc24
InChi:InChI=1S/C17H17FN4/c1-9-6-7-10(18)8-13(9)15-12-5-3-2-4-11(12)14-16(19)21-22-17(14)20-15/h6-8H,2-5H2,1H3,(H3,19,20,21,22)
Definition date:2010-11-19
Last modified:2011-11-25
Identifier:5-(5-fluoro-2-methyl-phenyl)-6,7,8,9-tetrahydro-3H-pyrazolo[5,4-c]isoquinolin-1-amine
LNP
LNP
Name:(3alpha,9beta,10alpha,13alpha)-30-cyclopropylidenelanost-7-en-3-ol
Formula:C33 H54 O
SMILES:OC5C(C1C(C3C(=CC1)C4(C=C2/CC2)C(CC3)(C)C(C(C)CCCC(C)C)CC4)(C)CC5)(C)C
InChi:InChI=1S/C33H54O/c1-22(2)9-8-10-23(3)25-16-20-33(21-24-11-12-24)27-13-14-28-30(4,5)29(34)17-18-31(28,6)26(27)15-19-32(25,33)7/h13,21-23,25-26,28-29,34H,8-12,14-20H2,1-7H3/t23-,25-,26-,28-,29+,31-,32-,33-/m1/s1
Definition date:2010-11-03
Last modified:2011-11-25
Identifier:(3alpha,9beta,10alpha,13alpha)-30-cyclopropylidenelanost-7-en-3-ol
G2Q
G2Q
Name:GUANOSINE DIPHOSPHATE RIBOSE
Formula:C15 H23 N5 O14 P2
SMILES:O=P(O)(OCC1OCC(O)C1O)OP(=O)(O)OCC4OC(n2cnc3c2NC(=NC3=O)N)C(O)C4O
InChi:InChI=1S/C15H23N5O14P2/c16-15-18-12-8(13(25)19-15)17-4-20(12)14-11(24)10(23)7(33-14)3-32-36(28,29)34-35(26,27)31-2-6-9(22)5(21)1-30-6/h4-7,9-11,14,21-24H,1-3H2,(H,26,27)(H,28,29)(H3,16,18,19,25)/t5-,6+,7+,9-,10+,11+,14+/m0/s1
Definition date:2011-08-24
Last modified:2011-11-25
Identifier:[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4S)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)
BPB
BPB
Name:BACTERIOPHEOPHYTIN B
Formula:C55 H74 N4 O6
SMILES:O=C(OCC=C(/C)CCCC(C)CCCC(C)CCCC(C)C)CCC6c4nc(cc1c(c(C(=O)C)c(n1)cc5nc(cc3c(c2C(=O)C(c4c2n3)C(=O)OC)C)/C(=C/C)C5C)C)C6C
InChi:InChI=1S/C55H74N4O6/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3/h13,25,27-32,34-35,40,51,57,59H,14-24,26H2,1-12H3/b33-25+,39-13+,41-29-,42-27-,43-27-,44-28-,45-28-,46-29-,52-50-/t31-,32-,34-,35+,40+,51-/m1/s1
Definition date:1999-07-08
Last modified:2011-11-17
Identifier:methyl (3S,4S,13R,14E,21R)-9-acetyl-14-ethylidene-4,8,13,18-tetramethyl-20-oxo-3-(3-oxo-3-{[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]oxy}propyl)-13,14-dihydrophorbine-21-carboxylate
13C
13C
Name:(5E)-13-CHLORO-14,16-DIHYDROXY-3,4,7,8,9,10-HEXAHYDRO-2-BENZAZACYCLOTETRADECINE-1,11(2H,12H)-DIONE
Formula:C17 H20 Cl N O4
SMILES:Oc1cc(O)c2C(=O)NCCC=CCCCCC(=O)Cc2c1Cl
InChi:InChI=1S/C17H20ClNO4/c18-16-12-9-11(20)7-5-3-1-2-4-6-8-19-17(23)15(12)13(21)10-14(16)22/h2,4,10,21-22H,1,3,5-9H2,(H,19,23)/b4-2+
Definition date:2010-11-08
Last modified:2011-11-11
Identifier:15-chloro-16,18-dihydroxy-3-azabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,12-dione
13I
13I
Name:(E)-ETHYL 13-CHLORO-14,16-DIHYDROXY-1,11-DIOXO-1,2,3,4,7,8,9,10,11,12-DECAHYDROBENZO[C][1]AZACYCLOTETRADECINE-10-CARBOXYLATE
Formula:C20 H26 Cl N O6
SMILES:CCO[CH](O)[CH]1CCCC=CCCNC(=O)c2c(O)cc(O)c(Cl)c2CC1=O
InChi:InChI=1S/C20H26ClNO6/c1-2-28-20(27)12-8-6-4-3-5-7-9-22-19(26)17-13(10-14(12)23)18(21)16(25)11-15(17)24/h3,5,11-12,20,24-25,27H,2,4,6-10H2,1H3,(H,22,26)/b5-3+/t12-,20+/m0/s1
Definition date:2010-11-08
Last modified:2011-11-11
Identifier:(4R,8E)-18-chloro-4-[(R)-ethoxy-hydroxy-methyl]-15,17-dihydroxy-12-azabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraene-3,13-dione
13N
13N
Name:(5E,10R)-N-BENZYL-13-CHLORO-14,16-DIHYDROXY-1,11-DIOXO-1,2,3,4,7,8,9,10,11,12-DECAHYDRO-2-BENZAZACYCLOTETRADECINE-10-CARBOXAMIDE
Formula:C25 H27 Cl N2 O5
SMILES:Oc1cc(O)c2C(=O)NCCC=CCCC[CH](C(=O)Cc2c1Cl)C(=O)NCc3ccccc3
InChi:InChI=1S/C25H27ClN2O5/c26-23-18-13-19(29)17(24(32)28-15-16-9-5-4-6-10-16)11-7-2-1-3-8-12-27-25(33)22(18)20(30)14-21(23)31/h1,3-6,9-10,14,17,30-31H,2,7-8,11-13,15H2,(H,27,33)(H,28,32)/b3-1+/t17-/m1/s1
Definition date:2010-11-08
Last modified:2011-11-11
Identifier:(6E,11R)-15-chloro-16,18-dihydroxy-2,12-dioxo-N-(phenylmethyl)-3-azabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-11-carboxamide
ABQ
ABQ
Name:[4-amino-7-(propan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl](6-{[(3S,4R)-4-(4-fluorophenyl)tetrahydrofuran-3-yl]amino}pyrazin-2-yl)methanone
Formula:C24 H24 F N7 O2
SMILES:Fc1ccc(cc1)C5COCC5Nc4nc(C(=O)c3c2c(ncnc2n(c3)C(C)C)N)cnc4
InChi:InChI=1S/C24H24FN7O2/c1-13(2)32-9-16(21-23(26)28-12-29-24(21)32)22(33)18-7-27-8-20(30-18)31-19-11-34-10-17(19)14-3-5-15(25)6-4-14/h3-9,12-13,17,19H,10-11H2,1-2H3,(H,30,31)(H2,26,28,29)/t17-,19-/m1/s1
Definition date:2011-05-10
Last modified:2011-11-11
Identifier:[4-amino-7-(propan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl](6-{[(3S,4R)-4-(4-fluorophenyl)tetrahydrofuran-3-yl]amino}pyrazin-2-yl)methanone
FI1
FI1
Name:6-chloro-N-((3S)-2-oxo-1-(2-oxo-2-((5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)ethyl)piperidin-3-yl)naphthalene-2-sulfonamide
Formula:C28 H29 Cl N4 O5 S
SMILES:Clc2ccc1cc(ccc1c2)S(=O)(=O)NC3C(=O)N(CCC3)CC(=O)N6CC5CN4C(=O)C=CC=C4C(C5)C6
InChi:InChI=1S/C28H29ClN4O5S/c29-22-8-6-20-13-23(9-7-19(20)12-22)39(37,38)30-24-3-2-10-31(28(24)36)17-27(35)32-14-18-11-21(16-32)25-4-1-5-26(34)33(25)15-18/h1,4-9,12-13,18,21,24,30H,2-3,10-11,14-17H2/t18-,21+,24-/m0/s1
Definition date:2011-07-15
Last modified:2011-11-11
Identifier:6-chloro-N-[(3S)-2-oxo-1-{2-oxo-2-[(1R,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]ethyl}piperidin-3-yl]naphthalene-2-sulfonamide
18P
18P
Name:N-{3-[(2R)-6-amino-2,4-dimethyl-3-oxo-2,3,4,5-tetrahydropyrazin-2-yl]phenyl}-5-chloropyridine-2-carboxamide
Formula:C18 H18 Cl N5 O2
SMILES:Clc1ccc(nc1)C(=O)Nc2cccc(c2)C3(N=C(N)CN(C3=O)C)C
InChi:InChI=1S/C18H18ClN5O2/c1-18(17(26)24(2)10-15(20)23-18)11-4-3-5-13(8-11)22-16(25)14-7-6-12(19)9-21-14/h3-9H,10H2,1-2H3,(H2,20,23)(H,22,25)/t18-/m1/s1
Definition date:2011-10-13
Last modified:2011-11-04
Identifier:N-{3-[(2R)-6-amino-2,4-dimethyl-3-oxo-2,3,4,5-tetrahydropyrazin-2-yl]phenyl}-5-chloropyridine-2-carboxamide
VNR
VNR
Name:1-deoxy-1-[(4aR)-4a-[(2Z)-2-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)but-2-en-1-yl]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono-D-ribitol
Formula:C23 H35 N4 O16 P3
SMILES:O=P(O)(O)OCC(O)C(O)C(O)CN2C3=NC(=O)NC(=O)C3(Nc1cc(c(cc12)C)C)CC(=C/C)/CCOP(=O)(O)OP(=O)(O)O
InChi:InChI=1S/C23H35N4O16P3/c1-4-14(5-6-41-46(39,40)43-45(36,37)38)9-23-20(24-22(32)25-21(23)31)27(16-8-13(3)12(2)7-15(16)26-23)10-17(28)19(30)18(29)11-42-44(33,34)35/h4,7-8,17-19,26,28-30H,5-6,9-11H2,1-3H3,(H,39,40)(H,25,31,32)(H2,33,34,35)(H2,36,37,38)/b14-4+/t17-,18+,19-,23+/m0/s1
Definition date:2011-06-15
Last modified:2011-10-28
Identifier:1-deoxy-1-[(4aR)-4a-[(2Z)-2-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)but-2-en-1-yl]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono-D-ribitol
OOP
OOP
Name:1-deoxy-1-[(4aR)-4a-[(2R)-1-hydroxy-5-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}-3-methylidenepentan-2-yl]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono-D-ribitol
Formula:C23 H35 N4 O17 P3
SMILES:O=P(O)(O)OCC(O)C(O)C(O)CN2C3=NC(=O)NC(=O)C3(Nc1cc(c(cc12)C)C)C(C(=C)/CCOP(=O)(O)OP(=O)(O)O)CO
InChi:InChI=1S/C23H35N4O17P3/c1-11(4-5-42-47(40,41)44-46(37,38)39)14(9-28)23-20(24-22(33)25-21(23)32)27(16-7-13(3)12(2)6-15(16)26-23)8-17(29)19(31)18(30)10-43-45(34,35)36/h6-7,14,17-19,26,28-31H,1,4-5,8-10H2,2-3H3,(H,40,41)(H,25,32,33)(H2,34,35,36)(H2,37,38,39)/t14-,17+,18-,19+,23-/m1/s1
Definition date:2011-06-17
Last modified:2011-10-28
Identifier:1-deoxy-1-[(4aR)-4a-[(2R)-1-hydroxy-5-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}-3-methylidenepentan-2-yl]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono-D-ribitol
79W
79W
Name:3-[(2S)-1,1-DIOXIDO-4-OXOTETRAHYDROTHIOPHEN-2-YL]BENZALDEHYDE
Formula:C11 H10 O4 S
SMILES:O=S2(=O)CC(=O)CC2c1cc(C=O)ccc1
InChi:InChI=1S/C11H10O4S/c12-6-8-2-1-3-9(4-8)11-5-10(13)7-16(11,14)15/h1-4,6,11H,5,7H2/t11-/m0/s1
Definition date:2011-03-24
Last modified:2011-10-28
Identifier:3-[(2S)-1,1-dioxido-4-oxotetrahydrothiophen-2-yl]benzaldehyde
R12
R12
Name:(2E,4E,6E,8E)-9-(4-hydroxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid
Formula:C20 H24 O3
SMILES:O=C(O)C=C(C=CC=C(C=Cc1c(cc(O)c(c1C)C)C)C)C
InChi:InChI=1S/C20H24O3/c1-13(7-6-8-14(2)11-20(22)23)9-10-18-15(3)12-19(21)17(5)16(18)4/h6-12,21H,1-5H3,(H,22,23)/b8-6+,10-9+,13-7+,14-11+
Definition date:1999-07-08
Last modified:2011-10-25
Identifier:(2E,4E,6E,8E)-9-(4-hydroxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid
03W
03W
Name:(2R)-propane-1,1,2,3-tetrol
Formula:C3 H8 O4
SMILES:OCC(O)C(O)O
InChi:InChI=1S/C3H8O4/c4-1-2(5)3(6)7/h2-7H,1H2/t2-/m1/s1
Definition date:2011-10-11
Last modified:2011-10-21
Identifier:(2R)-propane-1,1,2,3-tetrol
JN4
JN4
Name:ethenyl 6-(ethenylcarbamoyl)-2-[(phenylacetyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
Formula:C21 H21 N3 O4 S
SMILES:O=C(OC=C)c1c3c(sc1NC(=O)Cc2ccccc2)CN(C(=O)NC=C)CC3
InChi:InChI=1S/C21H21N3O4S/c1-3-22-21(27)24-11-10-15-16(13-24)29-19(18(15)20(26)28-4-2)23-17(25)12-14-8-6-5-7-9-14/h3-9H,1-2,10-13H2,(H,22,27)(H,23,25)
Definition date:2011-07-08
Last modified:2011-10-21
Identifier:ethenyl 6-(ethenylcarbamoyl)-2-[(phenylacetyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
JN8
JN8
Name:cyclopentyl 6-(ethylcarbamoyl)-2-[(thiophen-2-ylacetyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
Formula:C22 H27 N3 O4 S2
SMILES:O=C(OC1CCCC1)c2c4c(sc2NC(=O)Cc3sccc3)CN(C(=O)NCC)CC4
InChi:InChI=1S/C22H27N3O4S2/c1-2-23-22(28)25-10-9-16-17(13-25)31-20(24-18(26)12-15-8-5-11-30-15)19(16)21(27)29-14-6-3-4-7-14/h5,8,11,14H,2-4,6-7,9-10,12-13H2,1H3,(H,23,28)(H,24,26)
Definition date:2011-07-08
Last modified:2011-10-21
Identifier:cyclopentyl 6-(ethylcarbamoyl)-2-[(thiophen-2-ylacetyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
CMC
CMC
Name:CARBOXYMETHYL COENZYME *A
Formula:C23 H38 N7 O18 P3 S
SMILES:O=C(O)CSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O
InChi:InChI=1S/C23H38N7O18P3S/c1-23(2,18(35)21(36)26-4-3-13(31)25-5-6-52-8-14(32)33)9-45-51(42,43)48-50(40,41)44-7-12-17(47-49(37,38)39)16(34)22(46-12)30-11-29-15-19(24)27-10-28-20(15)30/h10-12,16-18,22,34-35H,3-9H2,1-2H3,(H,25,31)(H,26,36)(H,32,33)(H,40,41)(H,42,43)(H2,24,27,28)(H2,37,38,39)/t12-,16-,17-,18+,22-/m1/s1
Definition date:1999-07-08
Last modified:2011-10-18
Identifier:(3S,5S,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14-dioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphaicosan-20-oic acid 3,5-dioxide (non-preferred name)
D02
D02
Name:methyl 1-(2,3,5,6-tetrafluoro-4-sulfamoylphenyl)-1H-1,2,3-triazole-4-carboxylate
Formula:C10 H6 F4 N4 O4 S
SMILES:O=S(=O)(c1c(F)c(F)c(c(F)c1F)n2nnc(c2)C(=O)OC)N
InChi:InChI=1S/C10H6F4N4O4S/c1-22-10(19)3-2-18(17-16-3)8-4(11)6(13)9(23(15,20)21)7(14)5(8)12/h2H,1H3,(H2,15,20,21)
Definition date:2010-10-05
Last modified:2011-10-14
Identifier:methyl 1-(2,3,5,6-tetrafluoro-4-sulfamoylphenyl)-1H-1,2,3-triazole-4-carboxylate

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數據於2024-08-07公開中

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