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LB2

LB2
Name:	3-O-beta-D-glucopyranosyl-beta-D-glucopyranose
Formula:	C12 H22 O11
SMILES:	O(C1C(O)C(O)OC(CO)C1O)C2OC(C(O)C(O)C2O)CO
InChi:	InChI=1S/C12H22O11/c13-1-3-5(15)7(17)8(18)12(22-3)23-10-6(16)4(2-14)21-11(20)9(10)19/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8-,9-,10+,11-,12+/m1/s1
Synonyms:	Laminaribiose
Definition date:	2008-11-11
Last modified:	2020-07-17
Identifier:	3-O-beta-D-glucopyranosyl-beta-D-glucopyranose

JAG

JAG
Name:	2-methyl-3-[4-[4-(trifluoromethyloxy)phenoxy]phenyl]-5,6,7,8-tetrahydro-3~{H}-quinolin-4-one
Formula:	C23 H20 F3 N O3
SMILES:	CC1=NC2=C(CCCC2)C(=O)[CH]1c3ccc(Oc4ccc(OC(F)(F)F)cc4)cc3
InChi:	InChI=1S/C23H20F3NO3/c1-14-21(22(28)19-4-2-3-5-20(19)27-14)15-6-8-16(9-7-15)29-17-10-12-18(13-11-17)30-23(24,25)26/h6-13,21H,2-5H2,1H3/t21-/m1/s1
Definition date:	2019-01-30
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	2-methyl-3-[4-[4-(trifluoromethyloxy)phenoxy]phenyl]-5,6,7,8-tetrahydro-3~{H}-quinolin-4-one

LBS

LBS
Name:	6-O-beta-D-fructofuranosyl-beta-D-fructofuranose
Formula:	C12 H22 O11
SMILES:	O2C(COC1(OC(C(O)C1O)CO)CO)C(O)C(O)C2(O)CO
InChi:	InChI=1S/C12H22O11/c13-1-5-7(16)10(19)12(4-15,23-5)21-2-6-8(17)9(18)11(20,3-14)22-6/h5-10,13-20H,1-4H2/t5-,6-,7-,8-,9+,10+,11-,12-/m1/s1
Definition date:	2012-06-15
Last modified:	2020-07-17
Identifier:	6-O-beta-D-fructofuranosyl-beta-D-fructofuranose

LBT

LBT
Name:	ALPHA-LACTOSE
Formula:	C12 H22 O11
SMILES:	O(C1C(OC(O)C(O)C1O)CO)C2OC(C(O)C(O)C2O)CO
InChi:	InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11+,12+/m1/s1
Definition date:	2004-07-13
Last modified:	2020-07-17
Identifier:	4-O-beta-D-galactopyranosyl-alpha-D-glucopyranose

0HX

0HX
Name:	pentan-3-yl 2-acetamido-2,4-dideoxy-alpha-L-threo-hex-4-enopyranosiduronic acid
Formula:	C13 H21 N O6
SMILES:	CCC(CC)O[CH]1OC(=C[CH](O)[CH]1NC(C)=O)C(O)=O
InChi:	InChI=1S/C13H21NO6/c1-4-8(5-2)19-13-11(14-7(3)15)9(16)6-10(20-13)12(17)18/h6,8-9,11,13,16H,4-5H2,1-3H3,(H,14,15)(H,17,18)/t9-,11+,13+/m0/s1
Synonyms:	pentan-3-yl 2-(acetylamino)-2,4-dideoxy-alpha-L-threo-hex-4-enopyranosiduronic acid
Definition date:	2012-01-19
Last modified:	2020-07-17
Release date:	2013-02-08
Identifier:	(2~{R},3~{R},4~{S})-3-acetamido-4-oxidanyl-2-pentan-3-yloxy-3,4-dihydro-2~{H}-pyran-6-carboxylic acid

LEC

LEC
Name:	4-nitrophenyl 2-acetamido-2-deoxy-beta-D-glucopyranoside
Formula:	C14 H18 N2 O8
SMILES:	[O-][N+](=O)c2ccc(OC1OC(C(O)C(O)C1NC(=O)C)CO)cc2
InChi:	InChI=1S/C14H18N2O8/c1-7(18)15-11-13(20)12(19)10(6-17)24-14(11)23-9-4-2-8(3-5-9)16(21)22/h2-5,10-14,17,19-20H,6H2,1H3,(H,15,18)/t10-,11-,12-,13-,14-/m1/s1
Synonyms:	N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-nitrophenoxy)oxan-3-yl]ethanamide
Definition date:	2008-11-07
Last modified:	2020-07-17
Identifier:	4-nitrophenyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside

0LP

0LP
Name:	5-acetamido-2,6-anhydro-3,5-dideoxy-3-[(2E)-3-phenylprop-2-en-1-yl]-D-glycero-L-altro-non-2-enonic acid
Formula:	C20 H25 N O8
SMILES:	CC(=O)NC1C(O)C(=C(OC1C(O)C(O)CO)C(O)=O)C[C@H]=Cc2ccccc2
InChi:	InChI=1S/C20H25NO8/c1-11(23)21-15-16(25)13(9-5-8-12-6-3-2-4-7-12)18(20(27)28)29-19(15)17(26)14(24)10-22/h2-8,14-17,19,22,24-26H,9-10H2,1H3,(H,21,23)(H,27,28)/b8-5+/t14-,15-,16+,17+,19-/m1/s1
Synonyms:	5-(acetylamino)-2,6-anhydro-3,5-dideoxy-3-[(2E)-3-phenylprop-2-en-1-yl]-D-glycero-L-altro-non-2-enonic acid
Definition date:	2012-08-16
Last modified:	2020-07-17
Release date:	2012-09-21
Identifier:	5-(acetylamino)-2,6-anhydro-3,5-dideoxy-3-[(2E)-3-phenylprop-2-en-1-yl]-D-glycero-L-altro-non-2-enonic acid

JFZ

JFZ
Name:	4-nitrophenyl 6-deoxy-alpha-L-galactopyranoside
Formula:	C12 H15 N O7
SMILES:	C[CH]1O[CH](Oc2ccc(cc2)[N+]([O-])=O)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C12H15NO7/c1-6-9(14)10(15)11(16)12(19-6)20-8-4-2-7(3-5-8)13(17)18/h2-6,9-12,14-16H,1H3/t6-,9+,10+,11-,12-/m0/s1
Synonyms:	4-nitrophenyl-alpha-L-fucose
Definition date:	2019-02-19
Last modified:	2020-07-17
Release date:	2019-02-27
Identifier:	(2~{S},3~{S},4~{R},5~{S},6~{S})-2-methyl-6-(4-nitrophenoxy)oxane-3,4,5-triol

0NZ

0NZ
Name:	2-deoxy-6-O-phosphono-beta-D-glucopyranose
Formula:	C6 H13 O8 P
SMILES:	O=P(O)(O)OCC1OC(O)CC(O)C1O
InChi:	InChI=1S/C6H13O8P/c7-3-1-5(8)14-4(6(3)9)2-13-15(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4-,5-,6+/m1/s1
Synonyms:	2-deoxy-6-O-phosphono-beta-D-arabino-hexopyranose
Definition date:	2012-08-17
Last modified:	2020-07-17
Release date:	2013-06-12
Identifier:	2-deoxy-6-O-phosphono-beta-D-arabino-hexopyranose

JHM

JHM
Name:	2-deoxy-6-O-sulfo-alpha-D-glucopyranose
Formula:	C6 H12 O8 S
SMILES:	O=S(=O)(O)OCC1OC(O)CC(O)C1O
InChi:	InChI=1S/C6H12O8S/c7-3-1-5(8)14-4(6(3)9)2-13-15(10,11)12/h3-9H,1-2H2,(H,10,11,12)/t3-,4-,5+,6+/m1/s1
Synonyms:	2-deoxy-6-O-sulfo-alpha-D-arabino-hexopyranose
Definition date:	2010-09-27
Last modified:	2020-07-17
Identifier:	2-deoxy-6-O-sulfo-alpha-D-arabino-hexopyranose

LKS

LKS
Name:	N-[(1Z)-2-phenylethanimidoyl]-5-thio-alpha-D-mannopyranosylamine
Formula:	C14 H20 N2 O4 S
SMILES:	[N@H]=C(NC1SC(C(O)C(O)C1O)CO)Cc2ccccc2
InChi:	InChI=1S/C14H20N2O4S/c15-10(6-8-4-2-1-3-5-8)16-14-13(20)12(19)11(18)9(7-17)21-14/h1-5,9,11-14,17-20H,6-7H2,(H2,15,16)/t9-,11-,12+,13+,14+/m1/s1
Synonyms:	N-(1-IMINIO-2-PHENYLETHYL)-5-THIOHEXOPYRANOSYLAMINE BROMIDE
Definition date:	2003-10-08
Last modified:	2020-07-17
Identifier:	N-[(1Z)-2-phenylethanimidoyl]-5-thio-alpha-D-mannopyranosylamine

0TS

0TS
Name:	beta-D-glucopyranosyl-(1->4)-4-thio-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-4-thio-beta-D-glucopyrano syl-(1->4)-1-thio-beta-D-glucopyranose
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
Synonyms:	hemithiocellodextrin
Definition date:	2012-06-08
Last modified:	2020-07-17
Identifier:	beta-D-glucopyranosyl-(1->4)-4-thio-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-4-thio-beta-D-glucopyranosyl-(1->4)-1-thio-beta-D-glucopyranose

LNV

LNV
Name:	5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-D-glycero-D-galacto-non-2-enonic acid
Formula:	C13 H22 N4 O7
SMILES:	O=C(O)C=1OC(C(OC)C(O)CO)C(NC(=O)C)C(C=1)NC(=[N@H])N
InChi:	InChI=1S/C13H22N4O7/c1-5(19)16-9-6(17-13(14)15)3-8(12(21)22)24-11(9)10(23-2)7(20)4-18/h3,6-7,9-11,18,20H,4H2,1-2H3,(H,16,19)(H,21,22)(H4,14,15,17)/t6-,7+,9+,10+,11+/m0/s1
Synonyms:	5-(acetylamino)-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-D-glycero-D-galacto-non-2-enonic acid
Definition date:	2011-09-01
Last modified:	2020-07-17
Identifier:	5-(acetylamino)-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-D-glycero-D-galacto-non-2-enonic acid

0UB

0UB
Name:	beta-D-fructofuranosyl-(2->6)-beta-D-fructofuranosyl-(2->6)-beta-D-fructofuranose
Formula:	C18 H32 O16
SMILES:	O3C(COC1(OC(C(O)C1O)COC2(OC(CO)C(O)C2O)CO)CO)C(O)C(O)C3(O)CO
InChi:	InChI=1S/C18H32O16/c19-1-7-10(23)14(27)17(5-21,33-7)31-3-9-12(25)15(28)18(6-22,34-9)30-2-8-11(24)13(26)16(29,4-20)32-8/h7-15,19-29H,1-6H2/t7-,8-,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-/m1/s1
Synonyms:	Levantriose
Definition date:	2012-06-15
Last modified:	2020-07-17
Identifier:	beta-D-fructofuranosyl-(2->6)-beta-D-fructofuranosyl-(2->6)-beta-D-fructofuranose

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)

73E

73E
Name:	(1S)-1,5-anhydro-1-[3-(4-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]-D-glucitol
Formula:	C14 H17 N3 O5
SMILES:	OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2[nH]c(nn2)c3ccccc3
InChi:	InChI=1S/C14H17N3O5/c18-6-8-9(19)10(20)11(21)12(22-8)14-15-13(16-17-14)7-4-2-1-3-5-7/h1-5,8-12,18-21H,6H2,(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-(5-phenyl-4~{H}-1,2,4-triazol-3-yl)oxane-3,4,5-triol
Definition date:	2016-08-19
Last modified:	2020-07-17
Release date:	2017-06-14
Identifier:	(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(5-phenyl-4~{H}-1,2,4-triazol-3-yl)oxane-3,4,5-triol

LVO

LVO
Name:	5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-9-O-octanoyl-D-glycero-D-galacto-non-2-enonic acid
Formula:	C21 H36 N4 O8
SMILES:	O=C(OCC(O)C(OC)C1OC(=CC(NC(=[N@H])N)C1NC(=O)C)C(=O)O)CCCCCCC
InChi:	InChI=1S/C21H36N4O8/c1-4-5-6-7-8-9-16(28)32-11-14(27)18(31-3)19-17(24-12(2)26)13(25-21(22)23)10-15(33-19)20(29)30/h10,13-14,17-19,27H,4-9,11H2,1-3H3,(H,24,26)(H,29,30)(H4,22,23,25)/t13-,14+,17+,18+,19+/m0/s1
Synonyms:	5-(acetylamino)-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-9-O-octanoyl-D-glycero-D-galacto-non-2-enonic acid
Definition date:	2011-09-07
Last modified:	2020-07-17
Identifier:	5-(acetylamino)-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-9-O-octanoyl-D-glycero-D-galacto-non-2-enonic acid

LVQ

LVQ
Name:	octa-anionic calixarene
Formula:	C38 H37 As Na O25 S4
SMILES:	C[As-](C)(O)OC1=[O+][Na]2345OC(=O)C[O+]2c6c7Cc8cc(cc(Cc9cc(cc(Cc%10cc(cc(Cc6cc(c7)[S](O)(=O)=O)c%10[O+]3CC(O)=O)[S](O)(=O)=O)c9[O+]4C1)[S](O)(=O)=O)c8[O+]5CC(O)=O)[S](O)(=O)=O
InChi:	InChI=1S/C38H38AsO25S4.Na/c1-39(2,47)64-34(46)18-63-38-25-5-23-11-28(66(51,52)53)9-21(36(23)61-16-32(42)43)3-19-7-27(65(48,49)50)8-20(35(19)60-15-31(40)41)4-22-10-29(67(54,55)56)12-24(37(22)62-17-33(44)45)6-26(38)14-30(13-25)68(57,58)59
Definition date:	2019-09-17
Last modified:	2020-07-17
Release date:	2020-07-22

79J

79J
Name:	4-O-acetyl-5-acetamido-3,5-dideoxy-L-glycero-alpha-D-galacto-non-2-ulopyranosonic acid
Formula:	C13 H21 N O10
SMILES:	C(O)(=O)C1(CC(OC(C)=O)C(C(O1)C(C(CO)O)O)NC(=O)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+/m0/s1
Synonyms:	4-O-acetyl-5-(acetylamino)-3,5-dideoxy-L-glycero-alpha-D-galacto-non-2-ulopyranosonic acid
Definition date:	2016-09-16
Last modified:	2020-07-17
Release date:	2017-03-22
Identifier:	4-O-acetyl-5-(acetylamino)-3,5-dideoxy-L-glycero-alpha-D-galacto-non-2-ulopyranosonic acid

LVZ

LVZ
Name:	propan-2-yl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside
Formula:	C9 H19 N O11 S2
SMILES:	O=S(=O)(O)OCC1OC(OC(C)C)C(NS(=O)(=O)O)C(O)C1O
InChi:	InChI=1S/C9H19NO11S2/c1-4(2)20-9-6(10-22(13,14)15)8(12)7(11)5(21-9)3-19-23(16,17)18/h4-12H,3H2,1-2H3,(H,13,14,15)(H,16,17,18)/t5-,6-,7-,8-,9+/m1/s1
Synonyms:	propan-2-yl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucoside
Definition date:	2012-07-18
Last modified:	2020-07-17
Release date:	2013-07-31
Identifier:	propan-2-yl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside

LXB

LXB
Name:	2-acetamido-2-deoxy-beta-D-gulopyranose
Formula:	C8 H15 N O6
SMILES:	O=C(NC1C(O)C(O)C(OC1O)CO)C
InChi:	InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7+,8-/m1/s1
Synonyms:	N-acetyl-beta-D-gulosamine
Definition date:	2008-07-23
Last modified:	2020-07-17
Identifier:	2-(acetylamino)-2-deoxy-beta-D-gulopyranose

LXZ

LXZ
Name:	2-acetamido-2-deoxy-alpha-D-idopyranose
Formula:	C8 H15 N O6
SMILES:	O=C(NC1C(O)C(O)C(OC1O)CO)C
InChi:	InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5+,6+,7+,8+/m1/s1
Synonyms:	N-acetyl-alpha-D-idosamine
Definition date:	2008-07-09
Last modified:	2020-07-17
Identifier:	2-(acetylamino)-2-deoxy-alpha-D-idopyranose

MCU

MCU
Name:	methyl 4-O-methyl-beta-D-glucopyranuronate
Formula:	C8 H14 O7
SMILES:	O=C(OC)C1OC(O)C(O)C(O)C1OC
InChi:	InChI=1S/C8H14O7/c1-13-5-3(9)4(10)7(11)15-6(5)8(12)14-2/h3-7,9-11H,1-2H3/t3-,4-,5+,6+,7-/m1/s1
Synonyms:	methyl (2S,3S,4R,5R,6R)-3-methoxy-4,5,6-tris(oxidanyl)oxane-2-carboxylate
Definition date:	2012-07-18
Last modified:	2020-07-17
Release date:	2012-12-28
Identifier:	methyl 4-O-methyl-beta-D-glucopyranuronate

MDP

MDP
Name:	N-carboxyl-N-methyl-beta-muramic acid
Formula:	C11 H19 N O9
SMILES:	O=C(O)C(OC1C(O)C(OC(O)C1N(C(=O)O)C)CO)C
InChi:	InChI=1S/C11H19NO9/c1-4(9(15)16)20-8-6(12(2)11(18)19)10(17)21-5(3-13)7(8)14/h4-8,10,13-14,17H,3H2,1-2H3,(H,15,16)(H,18,19)/t4-,5-,6-,7-,8-,10-/m1/s1
Synonyms:	N-CARBOXY-N-METHYL-MURAMIC ACID
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	3-O-[(1R)-1-carboxyethyl]-2-[carboxy(methyl)amino]-2-deoxy-alpha-D-glucopyranose

MG5

MG5
Name:	2,3,4-tri-O-propanoyl-6-O-sulfamoyl-beta-D-glucopyranose
Formula:	C15 H25 N O11 S
SMILES:	O=S(=O)(OCC1OC(O)C(OC(=O)CC)C(OC(=O)CC)C1OC(=O)CC)N
InChi:	InChI=1S/C15H25NO11S/c1-4-9(17)25-12-8(7-23-28(16,21)22)24-15(20)14(27-11(19)6-3)13(12)26-10(18)5-2/h8,12-15,20H,4-7H2,1-3H3,(H2,16,21,22)/t8-,12-,13+,14-,15-/m1/s1
Synonyms:	2,3,4-tri-O-propanoyl-6-O-sulfamoyl-beta-D-glucose
Definition date:	2011-08-30
Last modified:	2020-07-17
Identifier:	2,3,4-tri-O-propanoyl-6-O-sulfamoyl-beta-D-glucopyranose

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