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VY9

VY9
Name:	(3R)-3-(2-hydroxy-2-oxoethylamino)decanoic acid
Formula:	C12 H23 N O4
SMILES:	CCCCCCC[CH](CC(O)=O)NCC(O)=O
InChi:	InChI=1S/C12H23NO4/c1-2-3-4-5-6-7-10(8-11(14)15)13-9-12(16)17/h10,13H,2-9H2,1H3,(H,14,15)(H,16,17)
Definition date:	2023-09-03
Last modified:	2024-04-12
Release date:	2024-04-17
Identifier:	(3~{R})-3-(2-hydroxy-2-oxoethylamino)decanoic acid

S8I

S8I
Name:	1-ethyl-4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium
Formula:	C14 H18 N2
SMILES:	CC[n+]1ccc(cc1)c2cc[n+](CC)cc2
InChi:	InChI=1S/C14H18N2/c1-3-15-9-5-13(6-10-15)14-7-11-16(4-2)12-8-14/h5-12H,3-4H2,1-2H3/q+2
Definition date:	2023-04-11
Last modified:	2024-04-12
Release date:	2024-04-17
Identifier:	1-ethyl-4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium

V3X

V3X
Name:	(2~{S})-~{N}-[(2~{S})-1-(4-fluoranyl-1~{H}-indol-3-yl)-3-oxidanyl-propan-2-yl]-3-methyl-2-sulfanyl-butanamide
Formula:	C16 H21 F N2 O2 S
SMILES:	CC(C)[CH](S)C(=O)N[CH](CO)Cc1c[nH]c2cccc(F)c12
InChi:	InChI=1S/C16H21FN2O2S/c1-9(2)15(22)16(21)19-11(8-20)6-10-7-18-13-5-3-4-12(17)14(10)13/h3-5,7,9,11,15,18,20,22H,6,8H2,1-2H3,(H,19,21)/t11-,15-/m0/s1
Definition date:	2023-07-05
Last modified:	2024-04-12
Release date:	2024-04-17
Identifier:	(2~{S})-~{N}-[(2~{S})-1-(4-fluoranyl-1~{H}-indol-3-yl)-3-oxidanyl-propan-2-yl]-3-methyl-2-sulfanyl-butanamide

Q9O

Q9O
Name:	4-[2-[(dimethylamino)methyl]phenyl]sulfanylbenzene-1,3-diol
Formula:	C15 H17 N O2 S
SMILES:	CN(C)Cc1ccccc1Sc2ccc(O)cc2O
InChi:	InChI=1S/C15H17NO2S/c1-16(2)10-11-5-3-4-6-14(11)19-15-8-7-12(17)9-13(15)18/h3-9,17-18H,10H2,1-2H3
Definition date:	2023-08-29
Last modified:	2024-04-12
Release date:	2024-04-17
Identifier:	4-[2-[(dimethylamino)methyl]phenyl]sulfanylbenzene-1,3-diol

KJ9

KJ9
Name:	(2R,5S,8S)-2,5-dihydroxy-5,10-dioxo-8-[(undecanoyloxy)methyl]-4,6,9-trioxa-5lambda~5~-phosphahenicosan-1-yl 3-deoxy-alpha-L-altro-oct-2-ulopyranosidonic acid
Formula:	C37 H69 O17 P
SMILES:	CCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCC)COP(=O)(O)OCC(O)COC1(CC(O)C(O)C(O1)C(O)CO)C(=O)O
InChi:	InChI=1S/C37H69O17P/c1-3-5-7-9-11-13-15-17-19-21-33(43)53-29(26-49-32(42)20-18-16-14-12-10-8-6-4-2)27-52-55(47,48)51-25-28(39)24-50-37(36(45)46)22-30(40)34(44)35(54-37)31(41)23-38/h28-31,34-35,38-41,44H,3-27H2,1-2H3,(H,45,46)(H,47,48)/t28-,29+,30+,31+,34-,35+,37+/m1/s1
Definition date:	2023-08-14
Last modified:	2024-04-12
Release date:	2024-04-17
Identifier:	(2R,5S,8S)-2,5-dihydroxy-5,10-dioxo-8-[(undecanoyloxy)methyl]-4,6,9-trioxa-5lambda~5~-phosphahenicosan-1-yl 3-deoxy-alpha-L-altro-oct-2-ulopyranosidonic acid

A1AF7

A1AF7
Name:	(19R,22S,25R)-22,25,26-trihydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl (9Z)-octadec-9-enoate
Formula:	C40 H77 O10 P
SMILES:	O=C(OC(COP(O)(=O)OCC(O)CO)COC(=O)CCCCCCCCCCCCCCC)CCCCCCC/C=CCCCCCCCC
InChi:	InChI=1S/C40H77O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,37-38,41-42H,3-16,19-36H2,1-2H3,(H,45,46)/b18-17-/t37-,38-/m1/s1
Definition date:	2024-02-28
Last modified:	2024-04-12
Release date:	2024-04-17
Identifier:	(19R,22S,25R)-22,25,26-trihydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl (9Z)-octadec-9-enoate

A1AHB

A1AHB
Name:	(1R,2S)-N-[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1R)-1-methoxyethyl]-5-(4-methylpiperazin-1-yl)pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-2-methylcyclopropane-1-carboxamide
Formula:	C44 H58 N8 O5 S
SMILES:	CN1CCN(CC1)c1cc(c(nc1)C(C)OC)c1n(CC)c2ccc3cc2c1CC(C)(C)COC(=O)C1CCCN(N1)C(=O)C(Cc1nc3cs1)NC(=O)C1CC1C
InChi:	InChI=1S/C44H58N8O5S/c1-8-51-37-12-11-28-19-31(37)33(40(51)32-20-29(23-45-39(32)27(3)56-7)50-16-14-49(6)15-17-50)22-44(4,5)25-57-43(55)34-10-9-13-52(48-34)42(54)35(21-38-46-36(28)24-58-38)47-41(53)30-18-26(30)2/h11-12,19-20,23-24,26-27,30,34-35,48H,8-10,13-18,21-22,25H2,1-7H3,(H,47,53)/t26-,27+,30+,34+,35-/m0/s1
Definition date:	2024-03-06
Last modified:	2024-04-12
Release date:	2024-04-17
Identifier:	(1R,2S)-N-[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1R)-1-methoxyethyl]-5-(4-methylpiperazin-1-yl)pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-2-methylcyclopropane-1-carboxamide (non-preferred name)

A1AHE

A1AHE
Name:	N-[3-fluoro-4-({7-[(3-fluoropyridin-2-yl)oxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}methyl)pyridin-2-yl]-N'-methylsulfuric diamide
Formula:	C22 H18 F2 N4 O5 S
SMILES:	CNS(=O)(=O)Nc1nccc(CC2=C(C)c3ccc(cc3OC2=O)Oc2ncccc2F)c1F
InChi:	InChI=1S/C22H18F2N4O5S/c1-12-15-6-5-14(32-21-17(23)4-3-8-27-21)11-18(15)33-22(29)16(12)10-13-7-9-26-20(19(13)24)28-34(30,31)25-2/h3-9,11,25H,10H2,1-2H3,(H,26,28)
Definition date:	2024-03-07
Last modified:	2024-04-12
Release date:	2024-04-17
Identifier:	N-[3-fluoro-4-({7-[(3-fluoropyridin-2-yl)oxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}methyl)pyridin-2-yl]-N'-methylsulfuric diamide

A1H5E

A1H5E
Name:	[(2~{S},3~{S},4~{S},5~{R},6~{S})-6-octoxy-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonic acid
Formula:	C14 H28 O8 S
SMILES:	CCCCCCCCO[CH]1O[CH](C[S](O)(=O)=O)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C14H28O8S/c1-2-3-4-5-6-7-8-21-14-13(17)12(16)11(15)10(22-14)9-23(18,19)20/h10-17H,2-9H2,1H3,(H,18,19,20)/t10-,11-,12+,13-,14+/m1/s1
Definition date:	2024-02-27
Last modified:	2024-04-12
Release date:	2024-04-17
Identifier:	[(2~{S},3~{S},4~{S},5~{R},6~{S})-6-octoxy-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonic acid

A2U

A2U
Name:	S-Ethyl-CoA
Formula:	C23 H40 N7 O16 P3 S
SMILES:	CCSCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23
InChi:	InChI=1S/C23H40N7O16P3S/c1-4-50-8-7-25-14(31)5-6-26-21(34)18(33)23(2,3)10-43-49(40,41)46-48(38,39)42-9-13-17(45-47(35,36)37)16(32)22(44-13)30-12-29-15-19(24)27-11-28-20(15)30/h11-13,16-18,22,32-33H,4-10H2,1-3H3,(H,25,31)(H,26,34)(H,38,39)(H,40,41)(H2,24,27,28)(H2,35,36,37)/t13-,16-,17-,18+,22+/m1/s1
Definition date:	2023-07-17
Last modified:	2024-04-12
Release date:	2024-04-17
Identifier:	[[(2~{R},3~{S},4~{R},5~{S})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{R})-4-[[3-(2-ethylsulfanylethylamino)-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate

C74

C74
Name:	4-[5-[3-[bis(oxidanylidene)-$l^5-sulfanyl]oxyphenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine
Formula:	C16 H15 N4 O4 S
SMILES:	O=[S+](=O)Oc1cccc(c1)c2c[nH]c3ncnc(N4CCOCC4)c23
InChi:	InChI=1S/C16H15N4O4S/c21-25(22)24-12-3-1-2-11(8-12)13-9-17-15-14(13)16(19-10-18-15)20-4-6-23-7-5-20/h1-3,8-10H,4-7H2,(H,17,18,19)/q+1
Definition date:	2023-05-23
Last modified:	2024-04-12
Release date:	2024-04-17
Identifier:	4-[5-[3-[bis(oxidanylidene)-$l^{5}-sulfanyl]oxyphenyl]-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine

DQC

DQC
Name:	7-nitro-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-carbonitrile
Formula:	C9 H4 N4 O4
SMILES:	[O-][N+](=O)c1c(C#N)cc2c(c1)NC(=O)C(=O)N2
InChi:	InChI=1S/C9H4N4O4/c10-3-4-1-5-6(2-7(4)13(16)17)12-9(15)8(14)11-5/h1-2H,(H,11,14)(H,12,15)
Definition date:	2008-01-03
Last modified:	2024-04-12
Release date:	2024-04-17
Identifier:	7-nitro-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-carbonitrile

GXF

GXF
Name:	5'-S-{3-[N'-(4'-chloro[1,1'-biphenyl]-3-yl)carbamimidamido]propyl}-5'-thioadenosine
Formula:	C26 H29 Cl N8 O3 S
SMILES:	Clc1ccc(cc1)c1cc(ccc1)NC(=N)NCCCSCC1OC(n2cnc3c(N)ncnc32)C(O)C1O
InChi:	InChI=1S/C26H29ClN8O3S/c27-17-7-5-15(6-8-17)16-3-1-4-18(11-16)34-26(29)30-9-2-10-39-12-19-21(36)22(37)25(38-19)35-14-33-20-23(28)31-13-32-24(20)35/h1,3-8,11,13-14,19,21-22,25,36-37H,2,9-10,12H2,(H2,28,31,32)(H3,29,30,34)/t19-,21-,22-,25-/m1/s1
Definition date:	2023-05-01
Last modified:	2024-04-12
Release date:	2024-04-17
Identifier:	5'-S-{3-[N'-(4'-chloro[1,1'-biphenyl]-3-yl)carbamimidamido]propyl}-5'-thioadenosine

HIY

HIY
Name:	5'-S-[2-(phenylcarbamamido)ethyl]-5'-thioadenosine
Formula:	C19 H23 N7 O4 S
SMILES:	Nc1ncnc2c1ncn2C1OC(CSCCNC(=O)Nc2ccccc2)C(O)C1O
InChi:	InChI=1S/C19H23N7O4S/c20-16-13-17(23-9-22-16)26(10-24-13)18-15(28)14(27)12(30-18)8-31-7-6-21-19(29)25-11-4-2-1-3-5-11/h1-5,9-10,12,14-15,18,27-28H,6-8H2,(H2,20,22,23)(H2,21,25,29)/t12-,14-,15-,18-/m1/s1
Definition date:	2023-05-01
Last modified:	2024-04-12
Release date:	2024-04-17
Identifier:	5'-S-[2-(phenylcarbamamido)ethyl]-5'-thioadenosine

VL0

VL0
Name:	2-oxidanyl-5-[[4-(phenylmethyl)phenyl]sulfamoyl]benzoic acid
Formula:	C20 H17 N O5 S
SMILES:	OC(=O)c1cc(ccc1O)[S](=O)(=O)Nc2ccc(Cc3ccccc3)cc2
InChi:	InChI=1S/C20H17NO5S/c22-19-11-10-17(13-18(19)20(23)24)27(25,26)21-16-8-6-15(7-9-16)12-14-4-2-1-3-5-14/h1-11,13,21-22H,12H2,(H,23,24)
Definition date:	2023-09-13
Last modified:	2024-04-05
Release date:	2024-04-10
Identifier:	2-oxidanyl-5-[[4-(phenylmethyl)phenyl]sulfamoyl]benzoic acid

VLN

VLN
Name:	(2~{R},3~{R},4~{S},5~{R})-2-(aminomethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol
Formula:	C6 H14 N2 O3
SMILES:	NC[CH]1N[CH](CO)[CH](O)[CH]1O
InChi:	InChI=1S/C6H14N2O3/c7-1-3-5(10)6(11)4(2-9)8-3/h3-6,8-11H,1-2,7H2/t3-,4-,5-,6+/m1/s1
Definition date:	2023-07-28
Last modified:	2024-04-05
Release date:	2024-04-10
Identifier:	(2~{R},3~{R},4~{S},5~{R})-2-(aminomethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol

TJR

TJR
Name:	[(2~{R})-2-oxidanyl-3-phosphonooxy-propyl] octadecanoate
Formula:	C21 H43 O7 P
SMILES:	CCCCCCCCCCCCCCCCCC(=O)OC[CH](O)CO[P](O)(O)=O
InChi:	InChI=1S/C21H43O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h20,22H,2-19H2,1H3,(H2,24,25,26)/t20-/m1/s1
Definition date:	2023-04-25
Last modified:	2024-04-05
Release date:	2024-04-10
Identifier:	[(2~{R})-2-oxidanyl-3-phosphonooxy-propyl] octadecanoate

YF8

YF8
Name:	N-[8-(4-{[(1R,3R,4S)-4-(4-chlorophenyl)-1-methyl-3-{[4-(4-{[4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-(trifluoromethanesulfonyl)benzene-1-sulfonyl]carbamoyl}phenyl)piperazin-1-yl]methyl}cyclohexyl]methyl}piperazin-1-yl)-8-oxooctanoyl]-3-methyl-L-valyl-(4R)-4-hydroxy-N-{(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl}-L-prolinamide
Formula:	C82 H104 Cl F3 N11 O11 S4
SMILES:	O=S(=O)(c1cc(ccc1NC(CSc1ccccc1)CCN1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC1)CC=1CC(C)(CCC=1c1ccc(Cl)cc1)CN1CCN(CC1)C(=O)CCCCCCC(=O)NC(C(=O)N1CC(O)CC1C(=O)NC(C)c1ccc(cc1)c1scnc1C)C(C)(C)C)C(F)(F)F
InChi:	InChI=1S/C82H105ClF3N11O11S4/c1-56(58-18-20-60(21-19-58)75-57(2)87-55-110-75)88-78(102)71-48-66(98)52-97(71)79(103)76(80(3,4)5)90-73(99)16-12-7-8-13-17-74(100)96-42-38-94(39-43-96)54-81(6)34-32-69(59-22-26-63(83)27-23-59)62(50-81)51-93-36-40-95(41-37-93)65-28-24-61(25-29-65)77(101)91-112(106,107)68-30-31-70(72(49-68)111(104,105)82(84,85)86)89-64(33-35-92-44-46-108-47-45-92)53-109-67-14-10-9-11-15-67/h9-11,14-15,18-31,49,55-56,64,66,71,76,89,98H,7-8,12-13,16-17,32-48,50-54H2,1-6H3,(H,88,102)(H,90,99)(H,91,101)/t56-,64+,66+,71-,76+,81+/m0/s1
Definition date:	2023-01-26
Last modified:	2024-04-05
Release date:	2024-04-10
Identifier:	N-[8-(4-{[(4R)-4'-chloro-4-methyl-6-{[4-(4-{[4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-(trifluoromethanesulfonyl)benzene-1-sulfonyl]carbamoyl}phenyl)piperazin-1-yl]methyl}-2,3,4,5-tetrahydro[1,1'-biphenyl]-4-yl]methyl}piperazin-1-yl)-8-oxooctanoyl]-3-methyl-L-valyl-(4R)-4-hydroxy-N-{(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl}-L-prolinamide

YFH

YFH
Name:	N-({4-[2-(4-{[(4R)-4'-chloro-4-methyl-6-{[4-(4-{[4-{[(2R)-4-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-1-(phenylsulfanyl)butan-2-yl]amino}-3-(trifluoromethanesulfonyl)benzene-1-sulfonyl]carbamoyl}phenyl)piperazin-1-yl]methyl}-2,3,4,5-tetrahydro[1,1'-biphenyl]-4-yl]methyl}piperazin-1-yl)-2-oxoethyl]piperazin-1-yl}acetyl)-3-methyl-L-valyl-(4S)-4-hydroxy-N-{(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl}-L-prolinamide
Formula:	C83 H105 Cl F3 N13 O11 S4
SMILES:	O=S(=O)(c1cc(ccc1NC(CSc1ccccc1)CCN1CC2CC1CO2)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC1)CC=1CC(C)(CCC=1c1ccc(Cl)cc1)CN1CCN(CC1)C(=O)CN1CCN(CC1)CC(=O)NC(C(=O)N1CC(O)CC1C(=O)NC(C)c1ccc(cc1)c1scnc1C)C(C)(C)C)C(F)(F)F
InChi:	InChI=1S/C83H105ClF3N13O11S4/c1-55(57-12-14-59(15-13-57)76-56(2)88-54-113-76)89-79(105)72-43-66(101)47-100(72)80(106)77(81(3,4)5)91-74(102)49-94-30-32-95(33-31-94)50-75(103)98-40-36-96(37-41-98)53-82(6)28-26-70(58-16-20-62(84)21-17-58)61(45-82)46-93-34-38-97(39-35-93)64-22-18-60(19-23-64)78(104)92-115(109,110)69-24-25-71(73(44-69)114(107,108)83(85,86)87)90-63(52-112-68-10-8-7-9-11-68)27-29-99-48-67-42-65(99)51-111-67/h7-25,44,54-55,63,65-67,72,77,90,101H,26-43,45-53H2,1-6H3,(H,89,105)(H,91,102)(H,92,104)/t55-,63+,65+,66-,67+,72-,77+,82+/m0/s1
Definition date:	2023-01-26
Last modified:	2024-04-05
Release date:	2024-04-10
Identifier:	N-({4-[2-(4-{[(4R)-4'-chloro-4-methyl-6-{[4-(4-{[4-{[(2R)-4-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-1-(phenylsulfanyl)butan-2-yl]amino}-3-(trifluoromethanesulfonyl)benzene-1-sulfonyl]carbamoyl}phenyl)piperazin-1-yl]methyl}-2,3,4,5-tetrahydro[1,1'-biphenyl]-4-yl]methyl}piperazin-1-yl)-2-oxoethyl]piperazin-1-yl}acetyl)-3-methyl-L-valyl-(4S)-4-hydroxy-N-{(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl}-L-prolinamide

VMF

VMF
Name:	(2~{R},3~{R},4~{S},5~{R})-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol
Formula:	C6 H13 N O4
SMILES:	OC[CH]1N[CH](CO)[CH](O)[CH]1O
InChi:	InChI=1S/C6H13NO4/c8-1-3-5(10)6(11)4(2-9)7-3/h3-11H,1-2H2/t3-,4-,5-,6+/m1/s1
Definition date:	2023-07-28
Last modified:	2024-04-05
Release date:	2024-04-10
Identifier:	(2~{R},3~{R},4~{S},5~{R})-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol

VMO

VMO
Name:	(2~{R},3~{S},4~{R})-2-(hydroxymethyl)-1-methyl-pyrrolidine-3,4-diol
Formula:	C6 H13 N O3
SMILES:	CN1C[CH](O)[CH](O)[CH]1CO
InChi:	InChI=1S/C6H13NO3/c1-7-2-5(9)6(10)4(7)3-8/h4-6,8-10H,2-3H2,1H3/t4-,5-,6+/m1/s1
Definition date:	2023-07-28
Last modified:	2024-04-05
Release date:	2024-04-10
Identifier:	(2~{R},3~{S},4~{R})-2-(hydroxymethyl)-1-methyl-pyrrolidine-3,4-diol

VN0

VN0
Name:	(2~{R},3~{S},4~{R},5~{R})-2-(hydroxymethyl)-5-(methylaminomethyl)pyrrolidine-3,4-diol
Formula:	C7 H16 N2 O3
SMILES:	CNC[CH]1N[CH](CO)[CH](O)[CH]1O
InChi:	InChI=1S/C7H16N2O3/c1-8-2-4-6(11)7(12)5(3-10)9-4/h4-12H,2-3H2,1H3/t4-,5-,6-,7+/m1/s1
Definition date:	2023-07-31
Last modified:	2024-04-05
Release date:	2024-04-10
Identifier:	(2~{R},3~{S},4~{R},5~{R})-2-(hydroxymethyl)-5-(methylaminomethyl)pyrrolidine-3,4-diol

VNB

VNB
Name:	(2~{R},3~{R},4~{S},5~{R})-2-[(dimethylamino)methyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol
Formula:	C8 H18 N2 O3
SMILES:	CN(C)C[CH]1N[CH](CO)[CH](O)[CH]1O
InChi:	InChI=1S/C8H18N2O3/c1-10(2)3-5-7(12)8(13)6(4-11)9-5/h5-9,11-13H,3-4H2,1-2H3/t5-,6-,7-,8+/m1/s1
Definition date:	2023-08-01
Last modified:	2024-04-05
Release date:	2024-04-10
Identifier:	(2~{R},3~{R},4~{S},5~{R})-2-[(dimethylamino)methyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol

VNQ

VNQ
Name:	(2~{R},3~{S},4~{R},5~{R})-2,5-bis(hydroxymethyl)-1-methyl-pyrrolidine-3,4-diol
Formula:	C7 H15 N O4
SMILES:	CN1[CH](CO)[CH](O)[CH](O)[CH]1CO
InChi:	InChI=1S/C7H15NO4/c1-8-4(2-9)6(11)7(12)5(8)3-10/h4-7,9-12H,2-3H2,1H3/t4-,5-,6-,7+/m1/s1
Definition date:	2023-08-01
Last modified:	2024-04-05
Release date:	2024-04-10
Identifier:	(2~{R},3~{R},4~{S},5~{R})-2,5-bis(hydroxymethyl)-1-methyl-pyrrolidine-3,4-diol

VO0

VO0
Name:	(2~{R},3~{R},4~{S},5~{R})-2-(aminomethyl)-5-(hydroxymethyl)-1-methyl-pyrrolidine-3,4-diol
Formula:	C7 H16 N2 O3
SMILES:	CN1[CH](CN)[CH](O)[CH](O)[CH]1CO
InChi:	InChI=1S/C7H16N2O3/c1-9-4(2-8)6(11)7(12)5(9)3-10/h4-7,10-12H,2-3,8H2,1H3/t4-,5-,6-,7+/m1/s1
Definition date:	2023-08-01
Last modified:	2024-04-05
Release date:	2024-04-10
Identifier:	(2~{R},3~{R},4~{S},5~{R})-2-(aminomethyl)-5-(hydroxymethyl)-1-methyl-pyrrolidine-3,4-diol

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