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U3V

U3V
Name:	(2S)-N-[(2S)-3-[1-(3-tert-butyl-1-methyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]-1-(methylamino)-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide
Formula:	C24 H38 N6 O4
SMILES:	c1c(n(C)nc1C(C)(C)C)C(=O)N2CCC(CC2)CC(C(NC)=O)NC(C3CCCC(N3)=O)=O
InChi:	InChI=1S/C24H38N6O4/c1-24(2,3)19-14-18(29(5)28-19)23(34)30-11-9-15(10-12-30)13-17(21(32)25-4)27-22(33)16-7-6-8-20(31)26-16/h14-17H,6-13H2,1-5H3,(H,25,32)(H,26,31)(H,27,33)/t16-,17-/m0/s1
Definition date:	2020-04-15
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	(2S)-N-[(2S)-3-[1-(3-tert-butyl-1-methyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]-1-(methylamino)-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide

U3Y

U3Y
Name:	(4S)-1-methyl-N-{(3S,5R)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide
Formula:	C23 H24 N10 O5 S
SMILES:	c1cc(ccc1c2nnnn2)C(=O)N4CC(CC4c3nc(cs3)C(NC)=O)NC(C5CC(=O)N(C(N5)=O)C)=O
InChi:	InChI=1S/C23H24N10O5S/c1-24-19(35)15-10-39-21(26-15)16-7-13(25-20(36)14-8-17(34)32(2)23(38)27-14)9-33(16)22(37)12-5-3-11(4-6-12)18-28-30-31-29-18/h3-6,10,13-14,16H,7-9H2,1-2H3,(H,24,35)(H,25,36)(H,27,38)(H,28,29,30,31)/t13-,14-,16+/m0/s1
Definition date:	2020-04-15
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	(4S)-1-methyl-N-{(3S,5R)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide

U6D

U6D
Name:	(1R,3R)-1-(2,6-difluoro-4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H-beta-carboline
Formula:	C28 H33 F4 N3 O
SMILES:	C5c1c(nc2c1cccc2)C(c4c(cc(OCCN3CC(CF)C3)cc4F)F)N(CC(F)(C)C)C5C
InChi:	InChI=1S/C28H33F4N3O/c1-17-10-21-20-6-4-5-7-24(20)33-26(21)27(35(17)16-28(2,3)32)25-22(30)11-19(12-23(25)31)36-9-8-34-14-18(13-29)15-34/h4-7,11-12,17-18,27,33H,8-10,13-16H2,1-3H3/t17-,27-/m1/s1
Definition date:	2020-04-27
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	(1R,3R)-1-(2,6-difluoro-4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H-beta-carboline

PQ8

PQ8
Name:	4-[5-[2-(2-hydroxyethyloxy)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-oxidanyl-benzoic acid
Formula:	C22 H26 N4 O7
SMILES:	CC(C)(C)OC(=O)N(CCOCCO)c1ccn2ncc(c3ccc(C(O)=O)c(O)c3)c2n1
InChi:	InChI=1S/C22H26N4O7/c1-22(2,3)33-21(31)25(8-10-32-11-9-27)18-6-7-26-19(24-18)16(13-23-26)14-4-5-15(20(29)30)17(28)12-14/h4-7,12-13,27-28H,8-11H2,1-3H3,(H,29,30)
Definition date:	2020-04-27
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	4-[5-[2-(2-hydroxyethyloxy)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-oxidanyl-benzoic acid

O6T

O6T
Name:	biotC4-1 cofactor
Formula:	C29 H37 Fe N7 O6 S
SMILES:	CC1(C)N2C(=O)C(C)(C)C(=O)N3C(C)(C)C(=O)N4c5cc(ccc5N(C1=O)[Fe]234)C(=O)NCCCC[CH]6SC[CH]7NC(=O)N[CH]67
InChi:	InChI=1S/C29H41N7O6S.Fe/c1-27(2)22(38)35-28(3,4)24(40)31-16-11-10-15(13-17(16)32-25(41)29(5,6)36-23(27)39)21(37)30-12-8-7-9-19-20-18(14-43-19)33-26(42)34-20
Definition date:	2020-02-17
Last modified:	2020-06-26
Release date:	2020-07-01

O7Q

O7Q
Name:	biotC5-1 cofactor
Formula:	C30 H39 Fe N7 O6 S
SMILES:	CC1(C)N2C(=O)C(C)(C)C(=O)N3C(C)(C)C(=O)N4c5cc(ccc5N(C1=O)[Fe]234)C(=O)NCCCCC[CH]6SC[CH]7NC(=O)N[CH]67
InChi:	InChI=1S/C30H43N7O6S.Fe/c1-28(2)23(39)36-29(3,4)25(41)32-17-12-11-16(14-18(17)33-26(42)30(5,6)37-24(28)40)22(38)31-13-9-7-8-10-20-21-19(15-44-20)34-27(43)35-21
Definition date:	2020-02-18
Last modified:	2020-06-26
Release date:	2020-07-01

V3J

V3J
Name:	(4,7-dihydro-2H-1lambda~4~,2,3-benzothiadiazol-5-yl)(morpholin-4-yl)methanone
Formula:	C11 H11 N3 O2 S
SMILES:	C3N(C(c2ccc1c(nns1)c2)=O)CCOC3
InChi:	InChI=1S/C11H11N3O2S/c15-11(14-3-5-16-6-4-14)8-1-2-10-9(7-8)12-13-17-10/h1-2,7H,3-6H2
Definition date:	2020-06-19
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	(1,2,3-benzothiadiazol-5-yl)(morpholin-4-yl)methanone

G4P

G4P
Name:	GUANOSINE-5',3'-TETRAPHOSPHATE
Formula:	C10 H17 N5 O17 P4
SMILES:	O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3OP(=O)(O)OP(=O)(O)O
InChi:	InChI=1S/C10H17N5O17P4/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6(30-36(26,27)32-34(21,22)23)3(29-9)1-28-35(24,25)31-33(18,19)20/h2-3,5-6,9,16H,1H2,(H,24,25)(H,26,27)(H2,18,19,20)(H2,21,22,23)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1
Synonyms:	guanosine tetraphosphate
Definition date:	2002-05-16
Last modified:	2020-06-24
Identifier:	guanosine 3',5'-bis(trihydrogen diphosphate)

DNO

DNO
Name:	D-mannose
Formula:	C6 H12 O6
SMILES:	O=CC(O)C(O)C(O)C(O)CO
InChi:	InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4-,5-,6-/m1/s1
Definition date:	2007-11-19
Last modified:	2020-06-24
Identifier:	D-mannose

3BU

3BU
Name:	L-allose
Formula:	C6 H12 O6
SMILES:	O=CC(O)C(O)C(O)C(O)CO
InChi:	InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5-,6+/m1/s1
Definition date:	2014-07-23
Last modified:	2020-06-24
Release date:	2015-04-29
Identifier:	L-allose

QDK

QDK
Name:	L-ribulose
Formula:	C5 H10 O5
SMILES:	O=C(CO)C(O)C(O)CO
InChi:	InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h3,5-8,10H,1-2H2/t3-,5-/m0/s1
Definition date:	2011-01-25
Last modified:	2020-06-24
Identifier:	L-ribulose

LPK

LPK
Name:	L-psicose
Formula:	C6 H12 O6
SMILES:	O=C(C(O)C(O)C(O)CO)CO
InChi:	InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5-,6+/m0/s1
Definition date:	2014-07-03
Last modified:	2020-06-24
Release date:	2015-04-29
Identifier:	L-psicose

LTG

LTG
Name:	L-tagatose
Formula:	C6 H12 O6
SMILES:	O=C(C(O)C(O)C(O)CO)CO
InChi:	InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5+,6-/m0/s1
Definition date:	2014-07-22
Last modified:	2020-06-24
Release date:	2014-10-22
Identifier:	L-tagatose

RB5

RB5
Name:	D-ribose
Formula:	C5 H10 O5
SMILES:	O=CC(O)C(O)C(O)CO
InChi:	InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4+,5-/m0/s1
Definition date:	2010-06-21
Last modified:	2020-06-24
Identifier:	D-ribose

REL

REL
Name:	D-glucuronic acid
Formula:	C6 H10 O7
SMILES:	O=C(O)C(O)C(O)C(O)C(O)C=O
InChi:	InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h1-5,8-11H,(H,12,13)/t2-,3+,4-,5-/m0/s1
Synonyms:	D-Glucuronate
Definition date:	2009-05-26
Last modified:	2020-06-24
Identifier:	D-glucuronic acid

ROR

ROR
Name:	L-ribose
Formula:	C5 H10 O5
SMILES:	O=CC(O)C(O)C(O)CO
InChi:	InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4+,5-/m1/s1
Definition date:	2013-12-10
Last modified:	2020-06-24
Release date:	2014-05-28
Identifier:	L-ribose

SDD

SDD
Name:	D-sorbose
Formula:	C6 H12 O6
SMILES:	O=C(C(O)C(O)C(O)CO)CO
InChi:	InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5+,6+/m1/s1
Definition date:	2012-02-11
Last modified:	2020-06-24
Identifier:	D-sorbose

PSJ

PSJ
Name:	D-psicose
Formula:	C6 H12 O6
SMILES:	O=C(C(O)C(O)C(O)CO)CO
InChi:	InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5-,6+/m1/s1
Definition date:	2009-09-09
Last modified:	2020-06-24
Identifier:	D-psicose

SOL

SOL
Name:	L-sorbose
Formula:	C6 H12 O6
SMILES:	O=C(C(O)C(O)C(O)CO)CO
InChi:	InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5+,6+/m0/s1
Definition date:	2010-05-14
Last modified:	2020-06-24
Identifier:	L-sorbose

LAI

LAI
Name:	L-arabinose
Formula:	C5 H10 O5
SMILES:	OCC(C(C(C=O)O)O)O
InChi:	InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4-,5+/m0/s1
Definition date:	2010-01-27
Last modified:	2020-06-24
Identifier:	L-arabinose

LFC

LFC
Name:	6-deoxy-L-galactonic acid
Formula:	C6 H12 O6
SMILES:	O=C(O)C(O)C(O)C(O)C(O)C
InChi:	InChI=1S/C6H12O6/c1-2(7)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H3,(H,11,12)/t2-,3+,4+,5-/m0/s1
Definition date:	2006-08-04
Last modified:	2020-06-24
Identifier:	6-deoxy-L-galactonic acid

8YV

8YV
Name:	2-keto-D-gluconic acid
Formula:	C6 H10 O7
SMILES:	C(C(CO)O)(O)C(C(C(=O)O)=O)O
InChi:	InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-4,7-10H,1H2,(H,12,13)/t2-,3-,4+/m1/s1
Synonyms:	(3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexanoic acid
Definition date:	2017-03-21
Last modified:	2020-06-24
Release date:	2017-03-29
Identifier:	D-fructosonic acid

AOS

AOS
Name:	D-ALLOSE
Formula:	C6 H12 O6
SMILES:	O=CC(O)C(O)C(O)C(O)CO
InChi:	InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5-,6+/m0/s1
Definition date:	2006-08-25
Last modified:	2020-06-24
Identifier:	D-allose

AR4

AR4
Name:	2-azanyl-5-[3-fluoranyl-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-5-oxidanylidene-pentanoic acid
Formula:	C10 H16 F N O8
SMILES:	O=C(OC1OC(C(O)C1(F)O)CO)CCC(C(=O)O)N
InChi:	InChI=1S/C10H16FNO8/c11-10(18)7(15)5(3-13)19-9(10)20-6(14)2-1-4(12)8(16)17/h4-5,7,9,13,15,18H,1-3,12H2,(H,16,17)/t4-,5+,7+,9+,10+/m0/s1
Synonyms:	MODIFIED RIBOSYLATED GLUTAMYL ESTER
Definition date:	2004-02-16
Last modified:	2020-06-21
Identifier:	(2S)-2-amino-5-{[(2R,3S,4R,5R)-3-fluoro-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxy}-5-oxopentanoic acid (non-preferred name)

WK1

WK1
Name:	(2S)-3-[(2S,4E)-4-[[(1R,2S,4aR,6S,8R,8aS)-2-[(E)-but-2-en-2-yl]-6,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-oxidanyl-methylidene]-3,5-bis(oxidanylidene)pyrrolidin-2-yl]-2-methyl-2-oxidanyl-propanoic acid
Formula:	C25 H35 N O6
SMILES:	CC=C(C)[CH]1C=C[CH]2C[CH](C)C[CH](C)[CH]2[CH]1C(O)=C3C(=O)N[CH](C[C](C)(O)C(O)=O)C3=O
InChi:	InChI=1S/C25H35NO6/c1-6-13(3)16-8-7-15-10-12(2)9-14(4)18(15)19(16)22(28)20-21(27)17(26-23(20)29)11-25(5,32)24(30)31/h6-8,12,14-19,28,32H,9-11H2,1-5H3,(H,26,29)(H,30,31)/b13-6+,22-20+/t12-,14+,15-,16+,17-,18-,19-,25-/m0/s1
Definition date:	2019-07-03
Last modified:	2020-06-19
Release date:	2020-06-24
Identifier:	(2~{S})-3-[(2~{S},4~{E})-4-[[(1~{R},2~{S},4~{a}~{R},6~{S},8~{R},8~{a}~{S})-2-[(~{E})-but-2-en-2-yl]-6,8-dimethyl-1,2,4~{a},5,6,7,8,8~{a}-octahydronaphthalen-1-yl]-oxidanyl-methylidene]-3,5-bis(oxidanylidene)pyrrolidin-2-yl]-2-methyl-2-oxidanyl-propanoic acid

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