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PRP

PRP
Name:	1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose
Formula:	C5 H13 O14 P3
SMILES:	O=P(OC1OC(C(O)C1O)COP(=O)(O)O)(O)OP(=O)(O)O
InChi:	InChI=1S/C5H13O14P3/c6-3-2(1-16-20(8,9)10)17-5(4(3)7)18-22(14,15)19-21(11,12)13/h2-7H,1H2,(H,14,15)(H2,8,9,10)(H2,11,12,13)/t2-,3-,4-,5-/m1/s1
Synonyms:	ALPHA-PHOSPHORIBOSYLPYROPHOSPHORIC ACID
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	1-O-[(R)-hydroxy(phosphonooxy)phosphoryl]-5-O-phosphono-alpha-D-ribofuranose

TGK

TGK
Name:	1-deoxy-beta-L-tagatopyranose
Formula:	C6 H12 O5
SMILES:	C1(C(C(C(CO1)O)O)O)(C)O
InChi:	InChI=1S/C6H12O5/c1-6(10)5(9)4(8)3(7)2-11-6/h3-5,7-10H,2H2,1H3/t3-,4+,5+,6-/m0/s1
Synonyms:	1-deoxy-beta-L-tagatose
Definition date:	2015-03-27
Last modified:	2020-07-17
Release date:	2016-03-23
Identifier:	1-deoxy-beta-L-tagatopyranose

MVP

MVP
Name:	(1S)-1,5-anhydro-4-O-alpha-D-glucopyranosyl-1-(phosphonomethyl)-D-glucitol
Formula:	C13 H25 O13 P
SMILES:	P(O)(O)(CC2C(C(C(OC1C(C(O)C(C(O1)CO)O)O)C(O2)CO)O)O)=O
InChi:	InChI=1S/C13H25O13P/c14-1-4-7(16)9(18)11(20)13(25-4)26-12-5(2-15)24-6(3-27(21,22)23)8(17)10(12)19/h4-20H,1-3H2,(H2,21,22,23)/t4-,5-,6-,7-,8+,9+,10-,11-,12-,13-/m1/s1
Synonyms:	alpha-maltose-c-phosphonate
Definition date:	2014-07-24
Last modified:	2020-07-17
Release date:	2015-07-22
Identifier:	(1S)-1,5-anhydro-4-O-alpha-D-glucopyranosyl-1-(phosphonomethyl)-D-glucitol

TGR

TGR
Name:	1-deoxy-alpha-D-xylo-hex-3-ulofuranose
Formula:	C6 H12 O5
SMILES:	CC(C1(OCC(C1O)O)O)O
InChi:	InChI=1S/C6H12O5/c1-3(7)6(10)5(9)4(8)2-11-6/h3-5,7-10H,2H2,1H3/t3-,4+,5-,6-/m0/s1
Synonyms:	1-deoxy 3-keto D-galactitol(Furanose form)
Definition date:	2015-03-27
Last modified:	2020-07-17
Release date:	2016-03-23
Identifier:	1-deoxy-alpha-D-xylo-hex-3-ulofuranose

SLS

SLS
Name:	3,4-dihydro-2~{H}-chromene-6-carboxamide
Formula:	C10 H11 N O2
SMILES:	NC(=O)c1ccc2OCCCc2c1
InChi:	InChI=1S/C10H11NO2/c11-10(12)8-3-4-9-7(6-8)2-1-5-13-9/h3-4,6H,1-2,5H2,(H2,11,12)
Definition date:	2020-03-11
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	3,4-dihydro-2~{H}-chromene-6-carboxamide

SLT

SLT
Name:	5-(ACETYLAMINO)-3,5-DIDEOXYNON-2-ULOPYRANONOSYL-(2->3)-BETA-D-LYXO-HEXOPYRANOSYL-(1->4)HEXOPYRANOSE
Formula:	C23 H39 N O19
SMILES:	O=C(NC1C(O)CC(OC1C(O)C(O)CO)(OC3C(O)C(OC(OC2C(OC(O)C(O)C2O)CO)C3O)CO)C(=O)O)C
InChi:	InChI=1S/C23H39NO19/c1-6(28)24-11-7(29)2-23(22(37)38,42-18(11)12(31)8(30)3-25)43-19-13(32)9(4-26)40-21(16(19)35)41-17-10(5-27)39-20(36)15(34)14(17)33/h7-21,25-27,29-36H,2-5H2,1H3,(H,24,28)(H,37,38)/t7-,8+,9+,10+,11+,12+,13-,14+,15+,16+,17+,18+,19-,20-,21-,23-/m0/s1
Synonyms:	LACTOSE SIALIC ACID
Definition date:	2004-01-19
Last modified:	2020-07-17
Identifier:	5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->4)-alpha-D-glucopyranose

RER

RER
Name:	vancosamine
Formula:	C7 H15 N O3
SMILES:	OC1OC(C(O)C(N)(C)C1)C
InChi:	InChI=1S/C7H15NO3/c1-4-6(10)7(2,8)3-5(9)11-4/h4-6,9-10H,3,8H2,1-2H3/t4-,5+,6+,7-/m0/s1
Synonyms:	(1R,3S,4S,5S)-3-amino-2,3,6-trideoxy-3-methyl-alpha-L-arabino-hexopyranose
Definition date:	2010-09-06
Last modified:	2020-07-17
Identifier:	3-amino-2,3,6-trideoxy-3-methyl-alpha-L-lyxo-hexopyranose

SLV

SLV
Name:	~{N}-(3-oxidanyl-4-propyl-phenyl)ethanamide
Formula:	C11 H15 N O2
SMILES:	CCCc1ccc(NC(C)=O)cc1O
InChi:	InChI=1S/C11H15NO2/c1-3-4-9-5-6-10(7-11(9)14)12-8(2)13/h5-7,14H,3-4H2,1-2H3,(H,12,13)
Definition date:	2020-03-11
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	~{N}-(3-oxidanyl-4-propyl-phenyl)ethanamide

LOG

LOG
Name:	N-acetylglucosaminono-1,5-lactone (Z)-oxime
Formula:	C8 H14 N2 O6
SMILES:	O=C(NC1C(=NO)OC(CO)C(O)C1O)C
InChi:	InChI=1S/C8H14N2O6/c1-3(12)9-5-7(14)6(13)4(2-11)16-8(5)10-15/h4-7,11,13-15H,2H2,1H3,(H,9,12)/b10-8-/t4-,5-,6-,7-/m1/s1
Synonyms:	LOGNAC
Definition date:	2010-07-22
Last modified:	2020-07-17
Identifier:	N-[(2Z,3R,4R,5S,6R)-4,5-dihydroxy-2-(hydroxyimino)-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]acetamide (non-preferred name)

SLY

SLY
Name:	(2-phenoxyphenyl)methanamine
Formula:	C13 H13 N O
SMILES:	NCc1ccccc1Oc2ccccc2
InChi:	InChI=1S/C13H13NO/c14-10-11-6-4-5-9-13(11)15-12-7-2-1-3-8-12/h1-9H,10,14H2
Definition date:	2020-03-11
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	(2-phenoxyphenyl)methanamine

TGY

TGY
Name:	1-deoxy-alpha-D-tagatopyranose
Formula:	C6 H12 O5
SMILES:	C1(O)C(O)C(C(O)(C)OC1)O
InChi:	InChI=1S/C6H12O5/c1-6(10)5(9)4(8)3(7)2-11-6/h3-5,7-10H,2H2,1H3/t3-,4+,5+,6+/m1/s1
Synonyms:	1-deoxy-alpha-D-tagatose
Definition date:	2015-03-26
Last modified:	2020-07-17
Release date:	2016-03-23
Identifier:	1-deoxy-alpha-D-tagatopyranose

KWW

KWW
Name:	1-(2-azanylethyl)-3-(3,4-dichlorophenyl)-~{N}-(phenylmethyl)pyrazole-4-carboxamide
Formula:	C19 H18 Cl2 N4 O
SMILES:	NCCn1cc(C(=O)NCc2ccccc2)c(n1)c3ccc(Cl)c(Cl)c3
InChi:	InChI=1S/C19H18Cl2N4O/c20-16-7-6-14(10-17(16)21)18-15(12-25(24-18)9-8-22)19(26)23-11-13-4-2-1-3-5-13/h1-7,10,12H,8-9,11,22H2,(H,23,26)
Definition date:	2019-07-02
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	1-(2-azanylethyl)-3-(3,4-dichlorophenyl)-~{N}-(phenylmethyl)pyrazole-4-carboxamide

Q6B

Q6B
Name:	[(6~{S},7~{S},9~{Z},12~{R})-12-[(~{Z},2~{S},6~{R},7~{R},9~{R})-4,6-dimethyl-7,9-bis(oxidanyl)dec-4-en-2-yl]-7,9-dimethyl-2-oxidanylidene-1-oxacyclododec-9-en-6-yl] (2~{E},4~{E},6~{E},8~{E},10~{E},12~{S},13~{S},15~{S})-4,6,10-trimethyl-12,13,15-tris(oxidanyl)hexadeca-2,4,6,8,10-pentaenoate
Formula:	C44 H70 O9
SMILES:	C[CH](O)C[CH](O)[CH](C)C=C(C)C[CH](C)[CH]1CC=C(C)C[CH](C)[CH](CCCC(=O)O1)OC(=O)C=CC(C)=CC(C)=CC=CC(C)=C[CH](O)[CH](O)C[CH](C)O
InChi:	InChI=1S/C44H70O9/c1-28(13-11-14-29(2)25-39(48)40(49)27-37(10)46)21-30(3)18-20-44(51)52-41-15-12-16-43(50)53-42(19-17-31(4)22-34(41)7)35(8)24-32(5)23-33(6)38(47)26-36(9)45/h11,13-14,17-18,20-21,23,25,33-42,45-49H,12,15-16,19,22,24,26-27H2,1-10H3/b14-11+,20-18+,28-13+,29-25+,30-21+,31-17-,32-23-/t33-,34+,35+,36-,37+,38-,39+,40+,41+,42-/m1/s1
Definition date:	2020-05-22
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	[(6~{S},7~{S},9~{Z},12~{R})-12-[(~{Z},2~{S},6~{R},7~{R},9~{R})-4,6-dimethyl-7,9-bis(oxidanyl)dec-4-en-2-yl]-7,9-dimethyl-2-oxidanylidene-1-oxacyclododec-9-en-6-yl] (2~{E},4~{E},6~{E},8~{E},10~{E},12~{S},13~{S},15~{S})-4,6,10-trimethyl-12,13,15-tris(oxidanyl)hexadeca-2,4,6,8,10-pentaenoate

TH1

TH1
Name:	(1R)-1,5-anhydro-1-(5-methyl-1,3-benzothiazol-2-yl)-D-glucitol
Formula:	C14 H17 N O5 S
SMILES:	n1c3cc(ccc3sc1C2OC(CO)C(O)C(O)C2O)C
InChi:	InChI=1S/C14H17NO5S/c1-6-2-3-9-7(4-6)15-14(21-9)13-12(19)11(18)10(17)8(5-16)20-13/h2-4,8,10-13,16-19H,5H2,1H3/t8-,10-,11+,12-,13-/m1/s1
Synonyms:	2-(BETA-D-GLUCOPYRANOSYL)-5-METHYL-BENZOTHIAZOLE
Definition date:	2004-10-05
Last modified:	2020-07-17
Identifier:	(1R)-1,5-anhydro-1-(5-methyl-1,3-benzothiazol-2-yl)-D-glucitol

M2F

M2F
Name:	2,4-dinitrophenyl 2-deoxy-2-fluoro-beta-D-mannopyranoside
Formula:	C12 H13 F N2 O9
SMILES:	[O-][N+](=O)c2ccc(OC1OC(C(O)C(O)C1F)CO)c([N+]([O-])=O)c2
InChi:	InChI=1S/C12H13FN2O9/c13-9-11(18)10(17)8(4-16)24-12(9)23-7-2-1-5(14(19)20)3-6(7)15(21)22/h1-3,8-12,16-18H,4H2/t8-,9+,10-,11-,12-/m1/s1
Synonyms:	2,4-dinitrophenyl 2-deoxy-2-fluoro-beta-D-mannoside
Definition date:	2009-03-02
Last modified:	2020-07-17
Identifier:	2,4-dinitrophenyl 2-deoxy-2-fluoro-beta-D-mannopyranoside

RF5

RF5
Name:	2-deoxy-2-fluoro-5-O-phosphono-alpha-D-arabinofuranose
Formula:	C5 H10 F O7 P
SMILES:	FC1C(O)C(OC1O)COP(=O)(O)O
InChi:	InChI=1S/C5H10FO7P/c6-3-4(7)2(13-5(3)8)1-12-14(9,10)11/h2-5,7-8H,1H2,(H2,9,10,11)/t2-,3+,4-,5+/m1/s1
Synonyms:	Inhibitor arabinosyl-2-fluoro-2-deoxynicotinamide mononucleotide, bound form
Definition date:	2008-07-30
Last modified:	2020-07-17
Identifier:	2-deoxy-2-fluoro-5-O-phosphono-alpha-D-arabinofuranose

RST

RST
Name:	3-amino-2,3,6-trideoxy-alpha-L-ribo-hexopyranose
Formula:	C6 H13 N O3
SMILES:	OC1C(OC(O)CC1N)C
InChi:	InChI=1S/C6H13NO3/c1-3-6(9)4(7)2-5(8)10-3/h3-6,8-9H,2,7H2,1H3/t3-,4+,5+,6-/m0/s1
Synonyms:	RISTOSAMINE
Definition date:	2002-09-02
Last modified:	2020-07-17
Identifier:	3-amino-2,3,6-trideoxy-alpha-L-ribo-hexopyranose

PSG

PSG
Name:	4-nitrophenyl 1-thio-beta-D-glucopyranoside
Formula:	C12 H15 N O7 S
SMILES:	[O-][N+](=O)c2ccc(SC1OC(C(O)C(O)C1O)CO)cc2
InChi:	InChI=1S/C12H15NO7S/c14-5-8-9(15)10(16)11(17)12(20-8)21-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9-,10+,11-,12+/m1/s1
Synonyms:	PARA-NITROPHENYL 1-THIO-BETA-D-GLUCOPYRANOSIDE
Definition date:	2000-05-03
Last modified:	2020-07-17
Identifier:	4-nitrophenyl 1-thio-beta-D-glucopyranoside

KX5

KX5
Name:	3-[3-(3,4-dichlorophenyl)-4-(2-phenylethylcarbamoyl)pyrazol-1-yl]propanoic acid
Formula:	C21 H19 Cl2 N3 O3
SMILES:	OC(=O)CCn1cc(C(=O)NCCc2ccccc2)c(n1)c3ccc(Cl)c(Cl)c3
InChi:	InChI=1S/C21H19Cl2N3O3/c22-17-7-6-15(12-18(17)23)20-16(13-26(25-20)11-9-19(27)28)21(29)24-10-8-14-4-2-1-3-5-14/h1-7,12-13H,8-11H2,(H,24,29)(H,27,28)
Definition date:	2019-07-02
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	3-[3-(3,4-dichlorophenyl)-4-(2-phenylethylcarbamoyl)pyrazol-1-yl]propanoic acid

PDX

PDX
Name:	2,3-di-O-sulfo-alpha-D-glucopyranose
Formula:	C6 H12 O12 S2
SMILES:	O=S(=O)(O)OC1C(O)C(OC(O)C1OS(=O)(=O)O)CO
InChi:	InChI=1S/C6H12O12S2/c7-1-2-3(8)4(17-19(10,11)12)5(6(9)16-2)18-20(13,14)15/h2-9H,1H2,(H,10,11,12)(H,13,14,15)/t2-,3-,4+,5-,6+/m1/s1
Synonyms:	2,3-di-O-sulfo-alpha-D-glucose
Definition date:	2002-10-23
Last modified:	2020-07-17
Identifier:	2,3-di-O-sulfo-alpha-D-glucopyranose

KX8

KX8
Name:	4-[3-(3,4-dichlorophenyl)-4-[(phenylmethyl)carbamoyl]pyrazol-1-yl]butanoic acid
Formula:	C21 H19 Cl2 N3 O3
SMILES:	OC(=O)CCCn1cc(C(=O)NCc2ccccc2)c(n1)c3ccc(Cl)c(Cl)c3
InChi:	InChI=1S/C21H19Cl2N3O3/c22-17-9-8-15(11-18(17)23)20-16(13-26(25-20)10-4-7-19(27)28)21(29)24-12-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,13H,4,7,10,12H2,(H,24,29)(H,27,28)
Definition date:	2019-07-02
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	4-[3-(3,4-dichlorophenyl)-4-[(phenylmethyl)carbamoyl]pyrazol-1-yl]butanoic acid

TTZ

TTZ
Name:	N-[(3aS,4R,5S,6S,6aS)-4,5,6-trihydroxy-4-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]thiazol-2-yl]-alpha- D-glucopyranosylamine
Formula:	C13 H22 N2 O9 S
SMILES:	OC2C(O)C(O)(C1N=C(SC12)NC3OC(CO)C(O)C(O)C3O)CO
InChi:	InChI=1S/C13H22N2O9S/c16-1-3-4(18)5(19)6(20)11(24-3)15-12-14-9-8(25-12)7(21)10(22)13(9,23)2-17/h3-11,16-23H,1-2H2,(H,14,15)/t3-,4-,5+,6-,7-,8-,9-,10+,11+,13+/m1/s1
Synonyms:	N-[(3aS,4R,5S,6S,6aS)-4,5,6-trihydroxy-4-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]thiazol-2-yl]-alpha- D-glucosylamine
Definition date:	2007-02-07
Last modified:	2020-07-17
Identifier:	N-[(3aS,4R,5S,6S,6aS)-4,5,6-trihydroxy-4-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]thiazol-2-yl]-alpha- D-glucopyranosylamine

SMD

SMD
Name:	METHYL-2-S-(ALPHA-D-MANNOPYRANOSYL)-2-THIO-ALPHA-D-MANNOPYRANOSIDE
Formula:	C13 H24 O10 S
SMILES:	S(C1C(OC)OC(CO)C(O)C1O)C2OC(C(O)C(O)C2O)CO
InChi:	InChI=1S/C13H24O10S/c1-21-12-11(9(19)7(17)4(2-14)22-12)24-13-10(20)8(18)6(16)5(3-15)23-13/h4-20H,2-3H2,1H3/t4-,5-,6-,7-,8+,9+,10+,11+,12+,13-/m1/s1
Definition date:	2004-09-03
Last modified:	2020-07-17
Identifier:	methyl 2-S-alpha-D-mannopyranosyl-2-thio-alpha-D-mannopyranoside

KXE

KXE
Name:	3-[3-(3,4-dichlorophenyl)-4-[(phenylmethyl)carbamoyl]pyrazol-1-yl]propanoic acid
Formula:	C20 H17 Cl2 N3 O3
SMILES:	OC(=O)CCn1cc(C(=O)NCc2ccccc2)c(n1)c3ccc(Cl)c(Cl)c3
InChi:	InChI=1S/C20H17Cl2N3O3/c21-16-7-6-14(10-17(16)22)19-15(12-25(24-19)9-8-18(26)27)20(28)23-11-13-4-2-1-3-5-13/h1-7,10,12H,8-9,11H2,(H,23,28)(H,26,27)
Definition date:	2019-07-03
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	3-[3-(3,4-dichlorophenyl)-4-[(phenylmethyl)carbamoyl]pyrazol-1-yl]propanoic acid

TU4

TU4
Name:	3-O-octanoyl-alpha-D-glucopyranose
Formula:	C14 H26 O7
SMILES:	C(CCCCCCC)(OC1C(C(O)OC(C1O)CO)O)=O
InChi:	InChI=1S/C14H26O7/c1-2-3-4-5-6-7-10(16)21-13-11(17)9(8-15)20-14(19)12(13)18/h9,11-15,17-19H,2-8H2,1H3/t9-,11-,12-,13+,14+/m1/s1
Definition date:	2020-03-31
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	3-O-octanoyl-alpha-D-glucopyranose

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