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DJB

DJB
Name:	3-O-acetyl-2-acetamido-2-deoxy-alpha-D-galactopyranuronic acid
Formula:	C10 H15 N O8
SMILES:	CC(=O)N[CH]1[CH](O)O[CH]([CH](O)[CH]1OC(C)=O)C(O)=O
InChi:	InChI=1S/C10H15NO8/c1-3(12)11-5-7(18-4(2)13)6(14)8(9(15)16)19-10(5)17/h5-8,10,14,17H,1-2H3,(H,11,12)(H,15,16)/t5-,6-,7-,8+,10+/m1/s1
Synonyms:	alpha-D-2-N-acetyl-3-O-acetylgalactosaminuronic acid
Definition date:	2018-01-18
Last modified:	2020-07-17
Release date:	2018-05-02
Identifier:	(2~{S},3~{R},4~{R},5~{R},6~{S})-5-acetamido-4-acetyloxy-3,6-bis(oxidanyl)oxane-2-carboxylic acid

XGP

XGP
Name:	1-O-phosphono-beta-D-glucopyranose
Formula:	C6 H13 O9 P
SMILES:	O=P(O)(OC1OC(C(O)C(O)C1O)CO)O
InChi:	InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6+/m1/s1
Synonyms:	1-O-phosphono-beta-D-glucose
Definition date:	2009-10-07
Last modified:	2020-07-17
Identifier:	1-O-phosphono-beta-D-glucopyranose

DJE

DJE
Name:	2-acetamido-2-deoxy-alpha-D-galactopyranuronic acid
Formula:	C8 H13 N O7
SMILES:	CC(=O)N[CH]1[CH](O)O[CH]([CH](O)[CH]1O)C(O)=O
InChi:	InChI=1S/C8H13NO7/c1-2(10)9-3-4(11)5(12)6(7(13)14)16-8(3)15/h3-6,8,11-12,15H,1H3,(H,9,10)(H,13,14)/t3-,4-,5-,6+,8+/m1/s1
Synonyms:	alpha-D-2-N-acetylgalactosaminuronic acid
Definition date:	2018-01-18
Last modified:	2020-07-17
Release date:	2018-05-02
Identifier:	(2~{S},3~{R},4~{R},5~{R},6~{S})-5-acetamido-3,4,6-tris(oxidanyl)oxane-2-carboxylic acid

QKH

QKH
Name:	Methyl-cyclo-hepta-amylose
Formula:	C49 H84 O35
SMILES:	O(C)C2C(O)C1OC8OC(CO)C(OC7OC(CO)C(OC6OC(CO)C(OC5OC(C(OC4OC(CO)C(OC3OC(COC)C(OC2OC1CO)C(O)C3OC)C(O)C4OC)C(O)C5O)CO)C(O)C6O)C(OC)C7O)C(OC)C8OC
InChi:	InChI=1S/C49H84O35/c1-64-14-21-34-28(62)40(68-5)48(77-21)80-32-17(10-52)74-46(38(66-3)26(32)60)79-31-16(9-51)71-43(24(58)23(31)57)78-30-15(8-50)72-44(25(59)22(30)56)83-35-19(12-54)73-45(29(63)37(35)65-2)84-36-20(13-55)76-49(42(70-7)41(36)69-6)81-33-18(11-53)75-47(82-34)39(67-4)27(33)61/h15-63H,8-14H2,1-7H3/t15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26+,27+,28+,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41+,42-,43-,44-,45-,46-,47-,48-,49-/m1/s1
Synonyms:	Methyl-beta-cyclodextrin
Definition date:	2007-08-07
Last modified:	2020-07-17
Identifier:	(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21R,23R,25R,26R,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42S,43R,44S,45R,46S,47R,48S,49R)-5,15,20,25,30,35-hexakis(hydroxymethyl)-40,42,43,45,47,49-hexamethoxy-10-(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.2~3,6~.2~8,11~.2~13,16~.2~18,21~.2~23,26~.2~28,31~]nonatetracontane-36,37,38,39,41,44,46,48-octol (non-preferred name)

Z15

Z15
Name:	(1S)-1,5-anhydro-1-(4-chloro-2,5-dihydroxyphenyl)-D-glucitol
Formula:	C12 H15 Cl O7
SMILES:	Clc1c(O)cc(c(O)c1)C2OC(CO)C(O)C(O)C2O
InChi:	InChI=1S/C12H15ClO7/c13-5-2-6(15)4(1-7(5)16)12-11(19)10(18)9(17)8(3-14)20-12/h1-2,8-12,14-19H,3H2/t8-,9-,10+,11-,12+/m1/s1
Definition date:	2010-07-01
Last modified:	2020-07-17
Identifier:	(1S)-1,5-anhydro-1-(4-chloro-2,5-dihydroxyphenyl)-D-glucitol

Z16

Z16
Name:	(1S)-1,5-anhydro-1-(3-chloro-2,5-dihydroxyphenyl)-D-glucitol
Formula:	C12 H15 Cl O7
SMILES:	Clc1cc(O)cc(c1O)C2OC(CO)C(O)C(O)C2O
InChi:	InChI=1S/C12H15ClO7/c13-6-2-4(15)1-5(8(6)16)12-11(19)10(18)9(17)7(3-14)20-12/h1-2,7,9-12,14-19H,3H2/t7-,9-,10+,11-,12+/m1/s1
Definition date:	2010-07-01
Last modified:	2020-07-17
Identifier:	(1S)-1,5-anhydro-1-(3-chloro-2,5-dihydroxyphenyl)-D-glucitol

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

SLB

SLB
Name:	N-acetyl-beta-neuraminic acid
Formula:	C11 H19 N O9
SMILES:	O=C(O)C1(O)OC(C(O)C(O)CO)C(NC(=O)C)C(O)C1
InChi:	InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7+,8+,9+,11-/m0/s1
Synonyms:	N-acetylneuraminic acid
Definition date:	2001-04-20
Last modified:	2020-07-17
Identifier:	5-(acetylamino)-3,5-dideoxy-D-glycero-beta-D-galacto-non-2-ulopyranosonic acid

TEU

TEU
Name:	1-O-alpha-D-glucopyranosyl-D-fructose
Formula:	C12 H22 O11
SMILES:	O=C(COC1OC(C(O)C(O)C1O)CO)C(O)C(O)C(O)CO
InChi:	InChI=1S/C12H22O11/c13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12/h4,6-15,17-21H,1-3H2/t4-,6-,7-,8-,9-,10+,11-,12+/m1/s1
Synonyms:	1-O-alpha-D-glucosyl-D-fructose
Definition date:	2012-10-04
Last modified:	2020-07-17
Release date:	2013-09-25
Identifier:	1-O-alpha-D-glucopyranosyl-D-fructose

VTB

VTB
Name:	7-O-phosphono-alpha-L-galacto-hept-2-ulopyranose
Formula:	C7 H15 O10 P
SMILES:	OC[C]1(O)O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C7H15O10P/c8-2-7(12)6(11)5(10)4(9)3(17-7)1-16-18(13,14)15/h3-6,8-12H,1-2H2,(H2,13,14,15)/t3-,4+,5+,6-,7+/m0/s1
Synonyms:	[(2~{S},3~{S},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl dihydrogen phosphate
Definition date:	2015-06-19
Last modified:	2020-07-17
Release date:	2015-10-14
Identifier:	[(2~{S},3~{S},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl dihydrogen phosphate

SZZ

SZZ
Name:	Sinigrin
Formula:	C10 H17 N O9 S2
SMILES:	OC[CH]1O[CH](SC(CC=C)=NO[S](O)(=O)=O)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C10H17NO9S2/c1-2-3-6(11-20-22(16,17)18)21-10-9(15)8(14)7(13)5(4-12)19-10/h2,5,7-10,12-15H,1,3-4H2,(H,16,17,18)/b11-6+/t5-,7-,8+,9-,10+/m1/s1
Definition date:	2016-11-16
Last modified:	2020-07-17
Release date:	2017-07-05
Identifier:	[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] (1~{E})-~{N}-sulfooxybut-3-enimidothioate

TT7

TT7
Name:	4-O-phosphono-beta-D-fructofuranose
Formula:	C6 H13 O9 P
SMILES:	OC1(OC(C(C1O)OP(=O)(O)O)CO)CO
InChi:	InChI=1S/C6H13O9P/c7-1-3-4(15-16(11,12)13)5(9)6(10,2-8)14-3/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5+,6-/m1/s1
Definition date:	2020-03-30
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	4-O-phosphono-beta-D-fructofuranose

DK0

DK0
Name:	(2~{R})-1-phenylpropan-2-ol
Formula:	C9 H12 O
SMILES:	C[CH](O)Cc1ccccc1
InChi:	InChI=1S/C9H12O/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3/t8-/m1/s1
Definition date:	2019-08-06
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	(2~{R})-1-phenylpropan-2-ol

SLM

SLM
Name:	(2S,4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxamide
Formula:	C11 H20 N2 O8
SMILES:	O=C(N)C1(O)OC(C(O)C(O)CO)C(NC(=O)C)C(O)C1
InChi:	InChI=1S/C11H20N2O8/c1-4(15)13-7-5(16)2-11(20,10(12)19)21-9(7)8(18)6(17)3-14/h5-9,14,16-18,20H,2-3H2,1H3,(H2,12,19)(H,13,15)/t5-,6+,7+,8+,9+,11-/m0/s1
Synonyms:	SIALYLAMIDE
Definition date:	2010-11-04
Last modified:	2020-07-17
Identifier:	(2S,4S,5R,6R)-5-(acetylamino)-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydro-2H-pyran-2-carboxamide (non-preferred name)

TF0

TF0
Name:	2-(acetylamino)-2-deoxy-3-O-beta-D-galactopyranosyl-alpha-D-galactopyranose
Formula:	C14 H25 N O11
SMILES:	C2(O)C(OC1C(NC(C)=O)C(OC(C1O)CO)O)OC(CO)C(C2O)O
InChi:	InChI=1S/C14H25NO11/c1-4(18)15-7-12(9(20)6(3-17)24-13(7)23)26-14-11(22)10(21)8(19)5(2-16)25-14/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)/t5-,6-,7-,8+,9+,10+,11-,12-,13+,14+/m1/s1
Synonyms:	TF antigen
Definition date:	2017-08-17
Last modified:	2020-07-17
Release date:	2018-02-28
Identifier:	2-(acetylamino)-2-deoxy-3-O-beta-D-galactopyranosyl-alpha-D-galactopyranose

Z2D

Z2D
Name:	alpha-L-allopyranose
Formula:	C6 H12 O6
SMILES:	OC1C(O)C(OC(O)C1O)CO
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+/m0/s1
Synonyms:	alpha-L-allose
Definition date:	2012-12-17
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	alpha-L-allopyranose

DK4

DK4
Name:	1-(3-deoxy-3-fluoro-beta-D-glucopyranosyl)-5-fluoropyrimidine-2,4(1H,3H)-dione
Formula:	C10 H12 F2 N2 O6
SMILES:	OC[CH]1O[CH]([CH](O)[CH](F)[CH]1O)N2C=C(F)C(=O)NC2=O
InChi:	InChI=1S/C10H12F2N2O6/c11-3-1-14(10(19)13-8(3)18)9-7(17)5(12)6(16)4(2-15)20-9/h1,4-7,9,15-17H,2H2,(H,13,18,19)/t4-,5+,6-,7-,9-/m1/s1
Synonyms:	1-(3-deoxy-3-fluoro-beta-D-glucosyl)-5-fluoropyrimidine-2,4(1H,3H)-dione
Definition date:	2010-01-13
Last modified:	2020-07-17
Identifier:	5-fluoro-1-[(2R,3S,4S,5R,6R)-4-fluoro-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]pyrimidine-2,4-dione

DK6

DK6
Name:	propane-1,1-diol
Formula:	C3 H8 O2
SMILES:	CCC(O)O
InChi:	InChI=1S/C3H8O2/c1-2-3(4)5/h3-5H,2H2,1H3
Definition date:	2019-08-07
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	propane-1,1-diol

Z2T

Z2T
Name:	(1S)-1,5-anhydro-1-(3-chloro-2-hydroxy-5-methoxyphenyl)-D-glucitol
Formula:	C13 H17 Cl O7
SMILES:	Clc1cc(OC)cc(c1O)C2OC(CO)C(O)C(O)C2O
InChi:	InChI=1S/C13H17ClO7/c1-20-5-2-6(9(16)7(14)3-5)13-12(19)11(18)10(17)8(4-15)21-13/h2-3,8,10-13,15-19H,4H2,1H3/t8-,10-,11+,12-,13+/m1/s1
Definition date:	2010-07-01
Last modified:	2020-07-17
Identifier:	(1S)-1,5-anhydro-1-(3-chloro-2-hydroxy-5-methoxyphenyl)-D-glucitol

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

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

DK9

DK9
Name:	pentane-1,1-diol
Formula:	C5 H12 O2
SMILES:	CCCCC(O)O
InChi:	InChI=1S/C5H12O2/c1-2-3-4-5(6)7/h5-7H,2-4H2,1H3
Definition date:	2019-08-07
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	pentane-1,1-diol

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

W9T

W9T
Name:	4-O-beta-D-galactopyranosyl-beta-D-fructofuranose
Formula:	C12 H22 O11
SMILES:	OC2C(OC1OC(CO)C(O)C(O)C1O)C(OC2(O)CO)CO
InChi:	InChI=1S/C12H22O11/c13-1-4-6(16)7(17)8(18)11(21-4)22-9-5(2-14)23-12(20,3-15)10(9)19/h4-11,13-20H,1-3H2/t4-,5-,6+,7+,8-,9-,10+,11+,12-/m1/s1
Definition date:	2013-04-23
Last modified:	2020-07-17
Release date:	2014-03-19
Identifier:	4-O-beta-D-galactopyranosyl-beta-D-fructofuranose

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

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