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PDB Info pages Status search Chemie search: 40137 results BIRD

3DR

3DR
Name:	1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATE
Formula:	C5 H11 O6 P
SMILES:	O=P(OCC1OCCC1O)(O)O
InChi:	InChI=1S/C5H11O6P/c6-4-1-2-10-5(4)3-11-12(7,8)9/h4-6H,1-3H2,(H2,7,8,9)/t4-,5+/m0/s1
Synonyms:	ABASIC DIDEOXYRIBOSE
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	1,4-anhydro-2-deoxy-5-O-phosphono-D-erythro-pentitol

3DS

3DS
Name:	(4S,5R)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid
Formula:	C7 H8 O5
SMILES:	O=C1C=C(C(=O)O)CC(O)C1O
InChi:	InChI=1S/C7H8O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,5-6,9-10H,2H2,(H,11,12)/t5-,6-/m1/s1
Synonyms:	3-dehydroshikimate
Definition date:	2010-05-27
Last modified:	2021-03-01
Identifier:	(4S,5R)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid

R07

R07
Name:	1-[(11S)-6,11-dihydrodibenzo[b,e]thiepin-11-yl]-5-hydroxy-3-[(2R)-1,1,1-trifluoropropan-2-yl]-2,3-dihydro-1H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
Formula:	C24 H20 F3 N3 O3 S
SMILES:	C1(=O)C=CN5C(=C1O)C(=O)N(CN5C3c2ccccc2SCc4c3cccc4)C(C(F)(F)F)C
InChi:	InChI=1S/C24H20F3N3O3S/c1-14(24(25,26)27)28-13-30(29-11-10-18(31)22(32)21(29)23(28)33)20-16-7-3-2-6-15(16)12-34-19-9-5-4-8-17(19)20/h2-11,14,20,32H,12-13H2,1H3/t14-,20+/m1/s1
Synonyms:	RO-7
Definition date:	2017-05-11
Last modified:	2021-03-01
Release date:	2018-04-11
Identifier:	1-[(11S)-6,11-dihydrodibenzo[b,e]thiepin-11-yl]-5-hydroxy-3-[(2R)-1,1,1-trifluoropropan-2-yl]-2,3-dihydro-1H-pyrido[2,1-f][1,2,4]triazine-4,6-dione

R0B

R0B
Name:	(2~{R})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-5-butyl-2,3-dihydro-1,3-thiazole-4-carboxylic acid
Formula:	C12 H19 N O5 S
SMILES:	CCCCC1=C(N[CH](S1)[CH]([CH](C)O)C(O)=O)C(O)=O
InChi:	InChI=1S/C12H19NO5S/c1-3-4-5-7-9(12(17)18)13-10(19-7)8(6(2)14)11(15)16/h6,8,10,13-14H,3-5H2,1-2H3,(H,15,16)(H,17,18)/t6-,8-,10-/m1/s1
Synonyms:	hydrolyzed faropenem (ring-open form)
Definition date:	2020-08-24
Last modified:	2021-03-01
Release date:	2021-02-24
Identifier:	(2~{R})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-5-butyl-2,3-dihydro-1,3-thiazole-4-carboxylic acid

3E1

3E1
Name:	N,N'-(6,6'-dihydroxybiphenyl-3,3'-diyl)diacetamide
Formula:	C16 H16 N2 O4
SMILES:	O=C(Nc1cc(c(O)cc1)c2cc(ccc2O)NC(=O)C)C
InChi:	InChI=1S/C16H16N2O4/c1-9(19)17-11-3-5-15(21)13(7-11)14-8-12(18-10(2)20)4-6-16(14)22/h3-8,21-22H,1-2H3,(H,17,19)(H,18,20)
Synonyms:	acetaminophen dimer
Definition date:	2014-08-04
Last modified:	2021-03-01
Release date:	2014-08-13
Identifier:	N,N'-(6,6'-dihydroxybiphenyl-3,3'-diyl)diacetamide

R14

R14
Name:	N,N'-[acridine-3,6-diylbis(1H-1,2,3-triazole-1,4-diylbenzene-3,1-diyl)]bis[3-(diethylamino)propanamide]
Formula:	C43 H47 N11 O2
SMILES:	O=C(Nc1cccc(c1)c2nnn(c2)c7cc6nc3c(ccc(c3)n4nnc(c4)c5cccc(NC(=O)CCN(CC)CC)c5)cc6cc7)CCN(CC)CC
InChi:	InChI=1S/C43H47N11O2/c1-5-51(6-2)21-19-42(55)44-34-13-9-11-30(24-34)40-28-53(49-47-40)36-17-15-32-23-33-16-18-37(27-39(33)46-38(32)26-36)54-29-41(48-50-54)31-12-10-14-35(25-31)45-43(56)20-22-52(7-3)8-4/h9-18,23-29H,5-8,19-22H2,1-4H3,(H,44,55)(H,45,56)
Synonyms:	triazole-acridine conjugate
Definition date:	2010-04-19
Last modified:	2021-03-01
Identifier:	N,N'-[acridine-3,6-diylbis(1H-1,2,3-triazole-1,4-diylbenzene-3,1-diyl)]bis[3-(diethylamino)propanamide]

3F0

3F0
Name:	2-azanyl-3-fluoranyl-benzoic acid
Formula:	C7 H6 F N O2
SMILES:	Fc1cccc(C(=O)O)c1N
InChi:	InChI=1S/C7H6FNO2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,9H2,(H,10,11)
Synonyms:	3-fluoroanthranilate
Definition date:	2014-02-05
Last modified:	2021-03-01
Release date:	2014-04-23
Identifier:	2-amino-3-fluorobenzoic acid

3F2

3F2
Name:	N,N'-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]biphenyl-4,4'-dicarboxamide
Formula:	C32 H28 N6 O2
SMILES:	O=C(Nc2cc(C1=NCCN1)ccc2)c3ccc(cc3)c4ccc(cc4)C(=O)Nc5cccc(c5)C6=NCCN6
InChi:	InChI=1S/C32H28N6O2/c39-31(37-27-5-1-3-25(19-27)29-33-15-16-34-29)23-11-7-21(8-12-23)22-9-13-24(14-10-22)32(40)38-28-6-2-4-26(20-28)30-35-17-18-36-30/h1-14,19-20H,15-18H2,(H,33,34)(H,35,36)(H,37,39)(H,38,40)
Synonyms:	BPH-1358
Definition date:	2014-08-05
Last modified:	2021-03-01
Release date:	2015-02-04
Identifier:	N,N'-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]biphenyl-4,4'-dicarboxamide

3FA

3FA
Name:	3-FLUOROBENZENE-1,2-DIOL
Formula:	C6 H5 F O2
SMILES:	Fc1cccc(O)c1O
InChi:	InChI=1S/C6H5FO2/c7-4-2-1-3-5(8)6(4)9/h1-3,8-9H
Synonyms:	3-FLUOROCATECHOL
Definition date:	2005-09-06
Last modified:	2021-03-01
Identifier:	3-fluorobenzene-1,2-diol

R1T

R1T
Name:	2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-5-[(1R)-1-HYDROXYETHYL]-3-METHYL-2-THIENYL}ETHYL TRIHYDROGEN DIPHOSPHATE
Formula:	C15 H23 N3 O8 P2 S
SMILES:	O=P(O)(O)OP(=O)(O)OCCc1sc(c(c1C)Cc2cnc(nc2N)C)C(O)C
InChi:	InChI=1S/C15H23N3O8P2S/c1-8-12(6-11-7-17-10(3)18-15(11)16)14(9(2)19)29-13(8)4-5-25-28(23,24)26-27(20,21)22/h7,9,19H,4-6H2,1-3H3,(H,23,24)(H2,16,17,18)(H2,20,21,22)/t9-/m1/s1
Synonyms:	2-[(1R)-1-HYDROXYETHYL]-3-DEAZA-THDP
Definition date:	2007-06-18
Last modified:	2021-03-01
Identifier:	2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[(1R)-1-hydroxyethyl]-3-methylthiophen-2-yl}ethyl trihydrogen diphosphate

R21

R21
Name:	2-(3-chloro-4-hydroxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
Formula:	C16 H17 Cl N2 O4 S
SMILES:	Clc1cc(ccc1O)CC(=O)NCCc2ccc(cc2)S(=O)(=O)N
InChi:	InChI=1S/C16H17ClN2O4S/c17-14-9-12(3-6-15(14)20)10-16(21)19-8-7-11-1-4-13(5-2-11)24(18,22)23/h1-6,9,20H,7-8,10H2,(H,19,21)(H2,18,22,23)
Synonyms:	2-(3-chloro-4-hydroxyphenyl)-N-(4-sulfamoylphenethyl)acetamide
Definition date:	2010-06-14
Last modified:	2021-03-01
Identifier:	2-(3-chloro-4-hydroxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

3FQ

3FQ
Name:	(2S)-1-(DIMETHYLAMINO)-3-{4-[(6-{[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-4-YL)AMINO]PHENOXY}PROPAN-2-OL
Formula:	C22 H25 F4 N5 O3
SMILES:	FC(F)(F)c1cc(c(F)cc1)NC3(O)N=CNC(Nc2ccc(OCC(O)CN(C)C)cc2)=C3
InChi:	InChI=1S/C22H25F4N5O3/c1-31(2)11-16(32)12-34-17-6-4-15(5-7-17)29-20-10-21(33,28-13-27-20)30-19-9-14(22(24,25)26)3-8-18(19)23/h3-10,13,16,29-30,32-33H,11-12H2,1-2H3,(H,27,28)/t16-,21+/m0/s1
Synonyms:	1-(DIMETHYLAMINO)-3-{4-[(6-{[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-4-YL)AMINO]PHENOXY}PROPAN-2-OL
Definition date:	2002-06-11
Last modified:	2021-03-01
Identifier:	(4S)-6-[(4-{[(2S)-3-(dimethylamino)-2-hydroxypropyl]oxy}phenyl)amino]-4-{[2-fluoro-5-(trifluoromethyl)phenyl]amino}-1,4-dihydropyrimidin-4-ol

R27

R27
Name:	N'-[(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-1,20,21-trioxo-8-(prop-2-en-1-yl)-1,3,4,5,6,8,11,12,13,14,15,16,17,18,19,20,21,23,24,25,26,26a-docosahydro-7H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosin-7-ylidene]acetohydrazide
Formula:	C46 H73 N3 O12
SMILES:	C4C(C=C(/C)C3C(C)C(CC(=NNC(=O)C)C(C=C(CC(C)CC(OC)C1C(OC)CC(C(O1)(O)C(C(N2C(CCCC2)C(O3)=O)=O)=O)C)C)C[C@H]=C)O)CCC(C4OC)O
InChi:	InChI=1S/C46H73N3O12/c1-11-14-33-20-26(2)19-27(3)21-39(58-9)42-40(59-10)23-29(5)46(56,61-42)43(53)44(54)49-18-13-12-15-35(49)45(55)60-41(30(6)37(52)25-34(33)48-47-31(7)50)28(4)22-32-16-17-36(51)38(24-32)57-8/h11,20,22,27,29-30,32-33,35-42,51-52,56H,1,12-19,21,23-25H2,2-10H3,(H,47,50)/b26-20+,28-22+,48-34-/t27-,29+,30+,32-,33+,35-,36+,37-,38+,39-,40-,41+,42+,46+/m0/s1
Synonyms:	APX879
Definition date:	2020-01-23
Last modified:	2021-03-01
Release date:	2020-12-16
Identifier:	N'-[(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-1,20,21-trioxo-8-(prop-2-en-1-yl)-1,3,4,5,6,8,11,12,13,14,15,16,17,18,19,20,21,23,24,25,26,26a-docosahydro-7H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosin-7-ylidene]acetohydrazide

B1R

B1R
Name:	[(1,2,3,4,5-eta)-cyclopentadienyl][(1,2,3,4,5-eta)-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}cyclopentadienyl]ruthenium
Formula:	C20 H16 N2 O2 Ru S
SMILES:	O=C1NC2C(SCC2N1)CCCCC(=O)C3%10C%12=C%11C6=C3[Ru]4564789%10C5=C4C9C8=C57
InChi:	InChI=1S/C15H15N2O2S.C5H.Ru/c18-12(10-5-1-2-6-10)7-3-4-8-13-14-11(9-20-13)16-15(19)17-14
Synonyms:	biotinylruthenocene
Definition date:	2012-12-06
Last modified:	2021-03-01
Release date:	2013-08-14
Identifier:	[(1,2,3,4,5-eta)-cyclopentadienyl][(1,2,3,4,5-eta)-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}cyclopentadienyl]ruthenium

R47

R47
Name:	N-[(2S)-3-[(S)-(4-bromophenyl)(hydroxy)phosphoryl]-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}propanoyl]-L-alpha-glutamyl-L-alpha-glutamine
Formula:	C35 H35 Br Cl N4 O10 P
SMILES:	O=C(O)CCC(C(=O)N)NC(=O)C(NC(=O)C(CP(=O)(O)c1ccc(Br)cc1)Cc4onc(c3ccc(c2cccc(Cl)c2)cc3)c4)CCC(=O)O
InChi:	InChI=1S/C35H35BrClN4O10P/c36-24-8-10-27(11-9-24)52(49,50)19-23(34(47)40-29(13-15-32(44)45)35(48)39-28(33(38)46)12-14-31(42)43)17-26-18-30(41-51-26)21-6-4-20(5-7-21)22-2-1-3-25(37)16-22/h1-11,16,18,23,28-29H,12-15,17,19H2,(H2,38,46)(H,39,48)(H,40,47)(H,42,43)(H,44,45)(H,49,50)/t23-,28+,29+/m1/s1
Synonyms:	RXP470.1
Definition date:	2012-09-14
Last modified:	2021-03-01
Release date:	2013-02-01
Identifier:	N-[(2S)-3-[(S)-(4-bromophenyl)(hydroxy)phosphoryl]-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}propanoyl]-L-alpha-glutamyl-L-alpha-glutamine

B31

B31
Name:	(2S)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl)oxy]-2-hydroxy-3-(beta-D-xylofuranosyloxy)cyclohexyl]-2-hydroxybutanamide
Formula:	C21 H41 N5 O12
SMILES:	O=C(NC3C(O)C(OC1OC(C(O)C1O)CO)C(OC2OC(CN)C(O)C(O)C2N)C(N)C3)C(O)CCN
InChi:	InChI=1S/C21H41N5O12/c22-2-1-8(28)19(34)26-7-3-6(24)17(37-20-11(25)15(32)13(30)9(4-23)35-20)18(12(7)29)38-21-16(33)14(31)10(5-27)36-21/h6-18,20-21,27-33H,1-5,22-25H2,(H,26,34)/t6-,7+,8-,9+,10+,11+,12-,13+,14-,15+,16+,17+,18+,20+,21-/m0/s1
Synonyms:	Butirosin A
Definition date:	2009-05-10
Last modified:	2021-03-01
Identifier:	(2S)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl)oxy]-2-hydroxy-3-(beta-D-xylofuranosyloxy)cyclohexyl]-2-hydroxybutanamide

R48

R48
Name:	1-{3-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea
Formula:	C29 H30 N8 O
SMILES:	O=C(Nc3cccc(Nc2ncnc1c2cc(N)cc1)c3)Nc5cc(nn5c4ccc(cc4)C)C(C)(C)C
InChi:	InChI=1S/C29H30N8O/c1-18-8-11-22(12-9-18)37-26(16-25(36-37)29(2,3)4)35-28(38)34-21-7-5-6-20(15-21)33-27-23-14-19(30)10-13-24(23)31-17-32-27/h5-17H,30H2,1-4H3,(H,31,32,33)(H2,34,35,38)
Synonyms:	1-(3-(6-aminoquinazolin-4-ylamino)phenyl)-3-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)urea
Definition date:	2009-03-06
Last modified:	2021-03-01
Identifier:	1-{3-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea

B32

B32
Name:	5'-S-[2-(decylamino)ethyl]-5'-thioadenosine
Formula:	C22 H38 N6 O3 S
SMILES:	n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CSCCNCCCCCCCCCC)N
InChi:	InChI=1S/C22H38N6O3S/c1-2-3-4-5-6-7-8-9-10-24-11-12-32-13-16-18(29)19(30)22(31-16)28-15-27-17-20(23)25-14-26-21(17)28/h14-16,18-19,22,24,29-30H,2-13H2,1H3,(H2,23,25,26)/t16-,18-,19-,22-/m1/s1
Synonyms:	S-adenosyl-N-decyl-aminoethyl (SADAE)
Definition date:	2009-05-04
Last modified:	2021-03-01
Identifier:	5'-S-[2-(decylamino)ethyl]-5'-thioadenosine

B40

B40
Name:	(2S)-N-methyl-1-phenylpropan-2-amine
Formula:	C10 H15 N
SMILES:	N(C(Cc1ccccc1)C)C
InChi:	InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-/m0/s1
Synonyms:	Methamphetamine
Definition date:	2009-03-19
Last modified:	2021-03-01
Identifier:	(2S)-N-methyl-1-phenylpropan-2-amine

R71

R71
Name:	[4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)-2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE
Formula:	C23 H27 Br F N O2
SMILES:	O=C(c1ccc(Br)cc1)c2ccc(OCCCCCCN(CC=C)C)cc2F
InChi:	InChI=1S/C23H27BrFNO2/c1-3-14-26(2)15-6-4-5-7-16-28-20-12-13-21(22(25)17-20)23(27)18-8-10-19(24)11-9-18/h3,8-13,17H,1,4-7,14-16H2,2H3
Synonyms:	Ro 48-8071
Definition date:	2002-01-09
Last modified:	2021-03-01
Identifier:	(4-bromophenyl)[2-fluoro-4-({6-[methyl(prop-2-en-1-yl)amino]hexyl}oxy)phenyl]methanone

B5L

B5L
Name:	N~1~,N~1~,N~1~-tris(3-azaniumylpropyl)butane-1,4-diaminium
Formula:	C13 H38 N5
SMILES:	C([N+](CCC[NH3+])(CCC[NH3+])CCC[NH3+])CCC[NH3+]
InChi:	InChI=1S/C13H34N5/c14-6-1-2-10-18(11-3-7-15,12-4-8-16)13-5-9-17/h1-17H2/q+1/p+4
Synonyms:	N4-bis(aminopropyl)spermidine
Definition date:	2019-01-16
Last modified:	2021-03-01
Release date:	2019-06-26
Identifier:	N~1~,N~1~,N~1~-tris(3-azaniumylpropyl)butane-1,4-diaminium

B65

B65
Name:	(1R)-4-(3-phenoxyphenyl)-1-phosphonobutane-1-sulfonic acid
Formula:	C16 H19 O7 P S
SMILES:	O=S(=O)(O)C(P(=O)(O)O)CCCc2cc(Oc1ccccc1)ccc2
InChi:	InChI=1S/C16H19O7PS/c17-24(18,19)16(25(20,21)22)11-5-7-13-6-4-10-15(12-13)23-14-8-2-1-3-9-14/h1-4,6,8-10,12,16H,5,7,11H2,(H2,17,18,19)(H,20,21,22)/t16-/m1/s1
Synonyms:	BPH-652
Definition date:	2007-11-14
Last modified:	2021-03-01
Identifier:	(1R)-4-(3-phenoxyphenyl)-1-phosphonobutane-1-sulfonic acid

B6Y

B6Y
Name:	(1R,2S)-2-{[N-({[1-(tert-butoxycarbonyl)-4-ethylpiperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
Formula:	C26 H46 N4 O10 S
SMILES:	C(=O)(NC(C(=O)NC(CC1CCNC1=O)C(S(=O)(=O)O)O)CC(C)C)OC2(CCN(CC2)C(=O)OC(C)(C)C)CC
InChi:	InChI=1S/C26H46N4O10S/c1-7-26(9-12-30(13-10-26)24(35)40-25(4,5)6)39-23(34)29-18(14-16(2)3)21(32)28-19(22(33)41(36,37)38)15-17-8-11-27-20(17)31/h16-19,22,33H,7-15H2,1-6H3,(H,27,31)(H,28,32)(H,29,34)(H,36,37,38)/t17-,18-,19-,22+/m0/s1
Synonyms:	bound form
Definition date:	2017-08-02
Last modified:	2021-03-01
Release date:	2018-04-04
Identifier:	(1R,2S)-2-{[N-({[1-(tert-butoxycarbonyl)-4-ethylpiperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid

B7A

B7A
Name:	2'-deoxy-5-formyluridine 5'-(tetrahydrogen triphosphate)
Formula:	C10 H15 N2 O15 P3
SMILES:	C2(COP(=O)(O)OP(O)(OP(=O)(O)O)=O)C(CC(N1C(NC(C(C=O)=C1)=O)=O)O2)O
InChi:	InChI=1S/C10H15N2O15P3/c13-3-5-2-12(10(16)11-9(5)15)8-1-6(14)7(25-8)4-24-29(20,21)27-30(22,23)26-28(17,18)19/h2-3,6-8,14H,1,4H2,(H,20,21)(H,22,23)(H,11,15,16)(H2,17,18,19)/t6-,7+,8+/m0/s1
Synonyms:	5-FodUTP
Definition date:	2017-08-03
Last modified:	2021-03-01
Release date:	2017-09-13
Identifier:	2'-deoxy-5-formyluridine 5'-(tetrahydrogen triphosphate)

B7J

B7J
Name:	2'-deoxy-5-formylcytidine 5'-(tetrahydrogen triphosphate)
Formula:	C10 H16 N3 O14 P3
SMILES:	C2(COP(=O)(O)OP(O)(OP(O)(O)=O)=O)C(CC(N1C(N=C(C(C=O)=C1)N)=O)O2)O
InChi:	InChI=1S/C10H16N3O14P3/c11-9-5(3-14)2-13(10(16)12-9)8-1-6(15)7(25-8)4-24-29(20,21)27-30(22,23)26-28(17,18)19/h2-3,6-8,15H,1,4H2,(H,20,21)(H,22,23)(H2,11,12,16)(H2,17,18,19)/t6-,7+,8+/m0/s1
Synonyms:	5-FodCTP
Definition date:	2017-08-03
Last modified:	2021-03-01
Release date:	2017-09-13
Identifier:	2'-deoxy-5-formylcytidine 5'-(tetrahydrogen triphosphate)

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