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SSG

SSG
Name:	1,4-dithio-beta-D-glucopyranose
Formula:	C6 H12 O4 S2
SMILES:	OC1C(S)C(OC(S)C1O)CO
InChi:	InChI=1S/C6H12O4S2/c7-1-2-5(11)3(8)4(9)6(12)10-2/h2-9,11-12H,1H2/t2-,3-,4-,5-,6+/m1/s1
Synonyms:	1,4-DEOXY-1,4-DITHIO-BETA-D-GLUCOPYRANOSE
Definition date:	2000-07-13
Last modified:	2020-07-17
Identifier:	1,4-dithio-beta-D-glucopyranose

SDY

SDY
Name:	beta-D-talopyranose
Formula:	C6 H12 O6
SMILES:	OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5+,6-/m1/s1
Synonyms:	beta-D-talose
Definition date:	2020-03-06
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	(2~{R},3~{S},4~{S},5~{R},6~{R})-6-(hydroxymethyl)oxane-2,3,4,5-tetrol

TM5

TM5
Name:	THIO-MALTOPENTAOSE
Formula:	C30 H52 O23 S3
SMILES:	S(C2C(OC(OC1C(O)C(O)C(S)OC1CO)C(O)C2O)CO)C5OC(C(OC4OC(CO)C(SC3OC(CO)C(O)C(O)C3O)C(O)C4O)C(O)C5O)CO
InChi:	InChI=1S/C30H52O23S3/c31-1-6-11(36)12(37)20(45)29(50-6)55-24-9(4-34)48-27(18(43)15(24)40)53-23-8(3-33)51-30(21(46)14(23)39)56-25-10(5-35)47-26(17(42)16(25)41)52-22-7(2-32)49-28(54)19(44)13(22)38/h6-46,54H,1-5H2/t6-,7-,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-/m1/s1
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	alpha-D-glucopyranosyl-(1->4)-4-thio-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-4-thio-alpha-D-glucopyranosyl-(1->4)-1-thio-alpha-D-glucopyranose

TM6

TM6
Name:	THIO-MALTOHEXAOSE
Formula:	C36 H62 O28 S3
SMILES:	S(C3C(OC(OC2C(O)C(O)C(SC1C(O)C(O)C(O)OC1CO)OC2CO)C(O)C3O)CO)C6OC(C(OC5OC(CO)C(SC4OC(CO)C(O)C(O)C4O)C(O)C5O)C(O)C6O)CO
InChi:	InChI=1S/C36H62O28S3/c37-1-7-13(43)14(44)23(53)34(60-7)66-29-11(5-41)58-32(21(51)18(29)48)64-27-9(3-39)62-36(25(55)16(27)46)67-30-12(6-42)59-33(22(52)19(30)49)63-26-8(2-38)61-35(24(54)15(26)45)65-28-10(4-40)57-31(56)20(50)17(28)47/h7-56H,1-6H2/t7-,8-,9-,10-,11-,12-,13-,14+,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31+,32-,33-,34-,35-,36-/m1/s1
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	alpha-D-glucopyranosyl-(1->4)-4-thio-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-4-thio-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-4-thio-alpha-D-glucopyranose

PKM

PKM
Name:	4-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid
Formula:	C13 H21 N O10
SMILES:	C(=O)(O)C1(O)CC(OC(=O)C)C(C(O1)C(C(O)CO)O)NC(C)=O
InChi:	InChI=1S/C13H21NO10/c1-5(16)14-9-8(23-6(2)17)3-13(22,12(20)21)24-11(9)10(19)7(18)4-15/h7-11,15,18-19,22H,3-4H2,1-2H3,(H,14,16)(H,20,21)/t7-,8+,9-,10-,11-,13-/m1/s1
Synonyms:	4-O-acetyl-5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid
Definition date:	2019-08-14
Last modified:	2020-07-17
Release date:	2020-02-12
Identifier:	4-O-acetyl-5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid

V71

V71
Name:	(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,4,6-trideoxy-4-fluoro-alpha-D-galactopyranoside
Formula:	C12 H25 F N4 O5
SMILES:	C1(C(C(O)C(C(CN)O1)F)N)OC2C(C(O)C(N)CC2N)O
InChi:	InChI=1S/C12H25FN4O5/c13-6-5(2-14)21-12(7(17)9(6)19)22-11-4(16)1-3(15)8(18)10(11)20/h3-12,18-20H,1-2,14-17H2/t3-,4+,5-,6+,7-,8+,9+,10-,11-,12-/m1/s1
Synonyms:	(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,4,6-trideoxy-4-fluoro-alpha-D-galactoside
Definition date:	2015-06-17
Last modified:	2020-07-17
Release date:	2016-06-22
Identifier:	(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,4,6-trideoxy-4-fluoro-alpha-D-galactopyranoside

RZM

RZM
Name:	(2R,3R,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-3-yl alpha-D-glucopyranoside
Formula:	C12 H23 N O9
SMILES:	O(C1C(O)C(NC1CO)CO)C2OC(C(O)C(O)C2O)CO
InChi:	InChI=1S/C12H23NO9/c14-1-4-7(17)11(5(2-15)13-4)22-12-10(20)9(19)8(18)6(3-16)21-12/h4-20H,1-3H2/t4-,5-,6-,7-,8-,9+,10-,11-,12-/m1/s1
Synonyms:	(2R,3R,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-3-yl alpha-D-glucoside
Definition date:	2014-07-24
Last modified:	2020-07-17
Release date:	2015-08-12
Identifier:	(2R,3R,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-3-yl alpha-D-glucopyranoside

SEJ

SEJ
Name:	beta-D-arabinopyranose
Formula:	C5 H10 O5
SMILES:	O[CH]1CO[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4+,5-/m1/s1
Synonyms:	beta-D-arabinose
Definition date:	2020-03-06
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	(2~{R},3~{S},4~{R},5~{R})-oxane-2,3,4,5-tetrol

P6P

P6P
Name:	6-O-phosphono-alpha-D-fructofuranose
Formula:	C6 H13 O9 P
SMILES:	O=P(O)(O)OCC1OC(O)(CO)C(O)C1O
InChi:	InChI=1S/C6H13O9P/c7-2-6(10)5(9)4(8)3(15-6)1-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5+,6+/m1/s1
Synonyms:	alpha fructose-6-phosphate
Definition date:	2009-08-17
Last modified:	2020-07-17
Identifier:	6-O-phosphono-alpha-D-fructofuranose

B16

B16
Name:	1,6-di-O-phosphono-beta-D-glucopyranose
Formula:	C6 H14 O12 P2
SMILES:	O=P(O)(O)OCC1OC(OP(=O)(O)O)C(O)C(O)C1O
InChi:	InChI=1S/C6H14O12P2/c7-3-2(1-16-19(10,11)12)17-6(5(9)4(3)8)18-20(13,14)15/h2-9H,1H2,(H2,10,11,12)(H2,13,14,15)/t2-,3-,4+,5-,6+/m1/s1
Synonyms:	1,6-di-O-phosphono-beta-D-glucose
Definition date:	2011-12-06
Last modified:	2020-07-17
Identifier:	1,6-di-O-phosphono-beta-D-glucopyranose

PZU

PZU
Name:	alpha-D-Paratopyranose
Formula:	C6 H12 O4
SMILES:	OC1C(OC(O)C(O)C1)C
InChi:	InChI=1S/C6H12O4/c1-3-4(7)2-5(8)6(9)10-3/h3-9H,2H2,1H3/t3-,4+,5-,6+/m1/s1
Synonyms:	alpha-D-Paratose
Definition date:	2011-09-02
Last modified:	2020-07-17
Release date:	2012-08-24
Identifier:	3,6-dideoxy-alpha-D-ribo-hexopyranose

TMR

TMR
Name:	2,6-dideoxy-4-S-methyl-4-thio-beta-D-ribo-hexopyranose
Formula:	C7 H14 O3 S
SMILES:	S(C1C(OC(O)CC1O)C)C
InChi:	InChI=1S/C7H14O3S/c1-4-7(11-2)5(8)3-6(9)10-4/h4-9H,3H2,1-2H3/t4-,5+,6-,7-/m1/s1
Synonyms:	2,6-DIDEOXY-4-THIOMETHYL-BETA-D-RIBOHEXOPYRANOSIDE
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	2,6-dideoxy-4-S-methyl-4-thio-beta-D-ribo-hexopyranose

NXD

NXD
Name:	methyl 5-acetamido-9-{[amino(oxo)acetyl]amino}-3,5,9-trideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid
Formula:	C14 H23 N3 O10
SMILES:	O=C(N)C(=O)NCC(O)C(O)C1OC(OC)(C(=O)O)CC(O)C1NC(=O)C
InChi:	InChI=1S/C14H23N3O10/c1-5(18)17-8-6(19)3-14(26-2,13(24)25)27-10(8)9(21)7(20)4-16-12(23)11(15)22/h6-10,19-21H,3-4H2,1-2H3,(H2,15,22)(H,16,23)(H,17,18)(H,24,25)/t6-,7+,8+,9+,10+,14+/m0/s1
Synonyms:	METHYL 5-(ACETYLAMINO)-9-{[AMINO(OXO)ACETYL]AMINO}-3,5,9-TRIDEOXY-D-GLYCERO-ALPHA-D-GLUCO-NON-2-ULOPYRANOSIDONIC ACID
Definition date:	2006-02-28
Last modified:	2020-07-17
Identifier:	methyl 5-(acetylamino)-9-{[amino(oxo)acetyl]amino}-3,5,9-trideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid

TMX

TMX
Name:	2-deoxy-2-(trimethylammonio)-beta-D-glucopyranose
Formula:	C9 H20 N O5
SMILES:	OC1OC(C(O)C(O)C1[N+](C)(C)C)CO
InChi:	InChI=1S/C9H20NO5/c1-10(2,3)6-8(13)7(12)5(4-11)15-9(6)14/h5-9,11-14H,4H2,1-3H3/q+1/t5-,6-,7-,8-,9-/m1/s1
Synonyms:	2-deoxy-2-(trimethylammonio)-beta-D-glucose
Definition date:	2010-09-02
Last modified:	2020-07-17
Identifier:	2-deoxy-2-(trimethylammonio)-beta-D-glucopyranose

B1H

B1H
Name:	(1S)-1,5-anhydro-1-(3-{4-[hydroxy(oxo)azaniumyl]phenyl}-1H-1,2,4-triazol-5-yl)-D-glucitol
Formula:	C14 H17 N4 O7
SMILES:	OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2[nH]nc(n2)c3ccc(cc3)[N+](O)=O
InChi:	InChI=1S/C14H17N4O7/c19-5-8-9(20)10(21)11(22)12(25-8)14-15-13(16-17-14)6-1-3-7(4-2-6)18(23)24/h1-4,8-12,19-22H,5H2,(H,23,24)(H,15,16,17)/q+1/t8-,9-,10+,11-,12-/m1/s1
Synonyms:	[4-[5-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-1~{H}-1,2,4-triazol-3-yl]phenyl ]-oxidanyl-oxidanylidene-azanium
Definition date:	2017-09-05
Last modified:	2020-07-17
Release date:	2018-02-28
Identifier:	[4-[5-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-1~{H}-1,2,4-triazol-3-yl]phenyl ]-oxidanyl-oxidanylidene-azanium

B1N

B1N
Name:	(1S)-1,5-anhydro-1-(2,5-dihydroxyphenyl)-D-glucitol
Formula:	C14 H17 N3 O6
SMILES:	OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2[nH]nc(n2)c3ccc(O)cc3
InChi:	InChI=1S/C14H17N3O6/c18-5-8-9(20)10(21)11(22)12(23-8)14-15-13(16-17-14)6-1-3-7(19)4-2-6/h1-4,8-12,18-22H,5H2,(H,15,16,17)/t8-,9-,10+,11-,12-/m1/s1
Synonyms:	(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-[3-(4-hydroxyphenyl)-1~{H}-1,2,4-triazol-5-yl]oxane-3,4,5-triol
Definition date:	2017-09-05
Last modified:	2020-07-17
Release date:	2018-02-28
Identifier:	(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-[3-(4-hydroxyphenyl)-1~{H}-1,2,4-triazol-5-yl]oxane-3,4,5-triol

SF6

SF6
Name:	alpha-L-psicofuranose
Formula:	C6 H12 O6
SMILES:	OC1C(O)C(OC1(O)CO)CO
InChi:	InChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5-,6+/m0/s1
Synonyms:	alpha-L-psicose
Definition date:	2014-07-24
Last modified:	2020-07-17
Release date:	2015-04-29
Identifier:	alpha-L-psicofuranose

SF9

SF9
Name:	beta-L-psicofuranose
Formula:	C6 H12 O6
SMILES:	OC1C(O)C(OC1(O)CO)CO
InChi:	InChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5-,6-/m0/s1
Synonyms:	beta-L-psicose
Definition date:	2014-07-24
Last modified:	2020-07-17
Release date:	2015-04-29
Identifier:	beta-L-psicofuranose

WIA

WIA
Name:	methyl 6-thio-beta-D-galactopyranoside
Formula:	C7 H14 O5 S
SMILES:	C1(OC)C(O)C(O)C(O)C(O1)CS
InChi:	InChI=1S/C7H14O5S/c1-11-7-6(10)5(9)4(8)3(2-13)12-7/h3-10,13H,2H2,1H3/t3-,4+,5+,6-,7-/m1/s1
Synonyms:	methyl 6-thio-beta-D-galactoside
Definition date:	2003-11-28
Last modified:	2020-07-17
Identifier:	methyl 6-thio-beta-D-galactopyranoside

STV

STV
Name:	~{N}-(1,3-benzodioxol-5-ylmethyl)ethanesulfonamide
Formula:	C10 H13 N O4 S
SMILES:	CC[S](=O)(=O)NCc1ccc2OCOc2c1
InChi:	InChI=1S/C10H13NO4S/c1-2-16(12,13)11-6-8-3-4-9-10(5-8)15-7-14-9/h3-5,11H,2,6-7H2,1H3
Definition date:	2020-03-11
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	~{N}-(1,3-benzodioxol-5-ylmethyl)ethanesulfonamide

U1Y

U1Y
Name:	methyl 6-thio-beta-D-glucopyranoside
Formula:	C7 H14 O5 S
SMILES:	SCC1OC(C(C(C1O)O)O)OC
InChi:	InChI=1S/C7H14O5S/c1-11-7-6(10)5(9)4(8)3(2-13)12-7/h3-10,13H,2H2,1H3/t3-,4-,5+,6-,7-/m1/s1
Definition date:	2020-04-08
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	methyl 6-thio-beta-D-glucopyranoside

STW

STW
Name:	Stachyose
Formula:	C24 H42 O21
SMILES:	OC[CH]1O[CH](OC[CH]2O[CH](OC[CH]3O[CH](O[C]4(CO)O[CH](CO)[CH](O)[CH]4O)[CH](O)[CH](O)[CH]3O)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C24H42O21/c25-1-6-10(28)14(32)17(35)21(41-6)39-3-8-11(29)15(33)18(36)22(42-8)40-4-9-12(30)16(34)19(37)23(43-9)45-24(5-27)20(38)13(31)7(2-26)44-24/h6-23,25-38H,1-5H2/t6-,7-,8-,9-,10+,11+,12-,13-,14+,15-,16+,17-,18+,19-,20-,21+,22+,23-,24+/m1/s1
Definition date:	2017-10-12
Last modified:	2020-07-17
Release date:	2018-04-11
Identifier:	(2~{S},3~{R},4~{S},5~{R},6~{R})-2-[[(2~{R},3~{R},4~{R},5~{S},6~{S})-6-[[(2~{R},3~{S},4~{S},5~{R},6~{R})-6-[(2~{S},3~{R},4~{S},5~{R})-2,5-bis(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

STZ

STZ
Name:	Streptozotocin
Formula:	C8 H15 N3 O7
SMILES:	O=NN(C(=O)NC1C(O)C(O)C(OC1O)CO)C
InChi:	InChI=1S/C8H15N3O7/c1-11(10-17)8(16)9-4-6(14)5(13)3(2-12)18-7(4)15/h3-7,12-15H,2H2,1H3,(H,9,16)/t3-,4-,5-,6-,7-/m1/s1
Synonyms:	2-deoxy-2-{[methyl(nitroso)carbamoyl]amino}-beta-D-glucopyranose
Definition date:	2008-12-02
Last modified:	2020-07-17
Identifier:	2-deoxy-2-{[methyl(nitroso)carbamoyl]amino}-beta-D-glucopyranose

SFJ

SFJ
Name:	(2R,3R,4R,5R,6R)-5-acetamido-2,3-difluoro-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydro-2H-pyran-2-carboxylic acid
Formula:	C11 H17 F2 N O8
SMILES:	FC1(OC(C(NC(=O)C)C(O)C1F)C(O)C(O)CO)C(=O)O
InChi:	InChI=1S/C11H17F2NO8/c1-3(16)14-5-7(19)9(12)11(13,10(20)21)22-8(5)6(18)4(17)2-15/h4-9,15,17-19H,2H2,1H3,(H,14,16)(H,20,21)/t4-,5-,6-,7-,8-,9-,11-/m1/s1
Synonyms:	(2R,3R,4R,5R,6R)-5-(acetylamino)-2,3-difluoro-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydro-2H-pyran-2-carboxy lic acid
Definition date:	2014-12-26
Last modified:	2020-07-17
Release date:	2015-09-16
Identifier:	(2R,3R,4R,5R,6R)-5-(acetylamino)-2,3-difluoro-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydro-2H-pyran-2-carboxy lic acid (non-preferred name)

NJT

NJT
Name:	9-chloranyl-5-propyl-11~{H}-pyrido[2,3-b][1,4]benzodiazepin-6-one
Formula:	C15 H14 Cl N3 O
SMILES:	CCCN1C(=O)c2ccc(Cl)cc2Nc3ncccc13
InChi:	InChI=1S/C15H14ClN3O/c1-2-8-19-13-4-3-7-17-14(13)18-12-9-10(16)5-6-11(12)15(19)20/h3-7,9H,2,8H2,1H3,(H,17,18)
Definition date:	2019-12-02
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	9-chloranyl-5-propyl-11~{H}-pyrido[2,3-b][1,4]benzodiazepin-6-one

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