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UCC

UCC
Name:	S-{(3S,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} undecanethioate
Formula:	C32 H56 N7 O17 P3 S
SMILES:	O=C(CCCCCCCCCC)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(O)(OCC1OC(C(C1OP(O)(O)=O)O)n2cnc3c2ncnc3N)=O)O
InChi:	InChI=1S/C32H56N7O17P3S/c1-4-5-6-7-8-9-10-11-12-23(41)60-16-15-34-22(40)13-14-35-30(44)27(43)32(2,3)18-53-59(50,51)56-58(48,49)52-17-21-26(55-57(45,46)47)25(42)31(54-21)39-20-38-24-28(33)36-19-37-29(24)39/h19-21,25-27,31,42-43H,4-18H2,1-3H3,(H,34,40)(H,35,44)(H,48,49)(H,50,51)(H2,33,36,37)(H2,45,46,47)/t21-,25-,26-,27+,31-/m1/s1
Synonyms:	undecanoyl coenzyme A
Definition date:	2015-03-06
Last modified:	2021-03-01
Release date:	2015-06-03
Identifier:	S-{(3S,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} undecanethioate (non-preferred name)

ZYX

ZYX
Name:	4-(2-AMINOETHYL)BENZENESULFONAMIDE
Formula:	C8 H12 N2 O2 S
SMILES:	O=S(=O)(c1ccc(cc1)CCN)N
InChi:	InChI=1S/C8H12N2O2S/c9-6-5-7-1-3-8(4-2-7)13(10,11)12/h1-4H,5-6,9H2,(H2,10,11,12)
Synonyms:	P-AMINOETHYL BENZENESULFONAMIDE
Definition date:	2006-10-30
Last modified:	2021-03-01
Identifier:	4-(2-aminoethyl)benzenesulfonamide

ZZ0

ZZ0
Name:	2-(4-CHLORO-PHENYLAMINO)-NICOTINIC ACID
Formula:	C12 H9 Cl N2 O2
SMILES:	Clc1ccc(cc1)Nc2ncccc2C(=O)O
InChi:	InChI=1S/C12H9ClN2O2/c13-8-3-5-9(6-4-8)15-11-10(12(16)17)2-1-7-14-11/h1-7H,(H,14,15)(H,16,17)
Synonyms:	2-[(4-CHLOROPHENYL)AMINO]PYRIDINE-3-CARBOXYLIC ACID
Definition date:	2009-06-30
Last modified:	2021-03-01
Identifier:	2-[(4-chlorophenyl)amino]pyridine-3-carboxylic acid

XX6

XX6
Name:	2-{[(2R)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE-1,3-DIOL
Formula:	C20 H23 N O4
SMILES:	OCC(NCC(O)COc2cc3c(c1c2cccc1)cccc3)CO
InChi:	InChI=1S/C20H23NO4/c22-11-15(12-23)21-10-16(24)13-25-20-9-14-5-1-2-6-17(14)18-7-3-4-8-19(18)20/h1-9,15-16,21-24H,10-13H2/t16-/m1/s1
Synonyms:	(R)-DIHYDROXY-PHENANTHRENOLOL
Definition date:	2007-06-19
Last modified:	2021-03-01
Identifier:	2-{[(2R)-2-hydroxy-3-(phenanthren-9-yloxy)propyl]amino}propane-1,3-diol

NSL

NSL
Name:	4-Hydroxyazobenzene
Formula:	C12 H10 N2 O
SMILES:	c1ccc(cc1)N=Nc2ccc(O)cc2
InChi:	InChI=1S/C12H10N2O/c15-12-8-6-11(7-9-12)14-13-10-4-2-1-3-5-10/h1-9,15H/b14-13+
Synonyms:	4-[(E)-phenyldiazenyl]phenol
Definition date:	2019-04-15
Last modified:	2021-03-01
Release date:	2019-07-24
Identifier:	4-[(E)-phenyldiazenyl]phenol

MZM

MZM
Name:	N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2(3H)-ylidene)acetamide
Formula:	C5 H8 N4 O3 S2
SMILES:	NS(=O)(=O)C=1S/C(N(N=1)C)=NC(=O)C
InChi:	InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)/b7-4-
Synonyms:	Methazolamide
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2(3H)-ylidene)acetamide

UCM

UCM
Name:	REL-(9R,12S)-9,10,11,12-TETRAHYDRO-9,12-EPOXY-1H-DIINDOLO[1,2,3-FG:3',2',1'-KL]PYRROLO[3,4-I][1,6]BENZODIAZOCINE-1,3(2H)-DIONE
Formula:	C24 H15 N3 O3
SMILES:	O=C5c4c2c3n(c1ccccc12)C8OC(n6c3c(c4C(=O)N5)c7ccccc67)CC8
InChi:	InChI=1S/C24H15N3O3/c28-23-19-17-11-5-1-3-7-13(11)26-15-9-10-16(30-15)27-14-8-4-2-6-12(14)18(22(27)21(17)26)20(19)24(29)25-23/h1-8,15-16H,9-10H2,(H,25,28,29)/t15-,16+
Synonyms:	SB218078
Definition date:	2003-02-13
Last modified:	2021-03-01
Identifier:	(5R,8S)-5,6,7,8-tetrahydro-13H-5,8-epoxy-4b,8a,14-triazadibenzo[b,h]cycloocta[1,2,3,4-jkl]cyclopenta[e]-as-indacene-13,15(14H)-dione

ZZ8

ZZ8
Name:	2-(ACETYLAMINO)BENZOIC ACID
Formula:	C9 H9 N O3
SMILES:	O=C(Nc1ccccc1C(=O)O)C
InChi:	InChI=1S/C9H9NO3/c1-6(11)10-8-5-3-2-4-7(8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)
Synonyms:	N-ACETYLANTHRANILATE
Definition date:	2009-05-22
Last modified:	2021-03-01
Identifier:	2-(acetylamino)benzoic acid

QP8

QP8
Name:	tert-butyl 4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylate
Formula:	C19 H25 N5 O3
SMILES:	CC(C)(C)OC(=O)N1CCN(CC1)c2cc(nnc2N)c3ccccc3O
InChi:	InChI=1S/C19H25N5O3/c1-19(2,3)27-18(26)24-10-8-23(9-11-24)15-12-14(21-22-17(15)20)13-6-4-5-7-16(13)25/h4-7,12,25H,8-11H2,1-3H3,(H2,20,22)
Synonyms:	~{tert}-butyl 4-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylate
Definition date:	2020-07-15
Last modified:	2021-03-01
Release date:	2020-10-07
Identifier:	~{tert}-butyl 4-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylate

UQA

UQA
Name:	5-ethyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione
Formula:	C12 H12 N2 O3
SMILES:	CCC1(C(NC(=O)NC1=O)=O)c2ccccc2
InChi:	InChI=1S/C12H12N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17)
Synonyms:	Phenobarbital
Definition date:	2020-05-27
Last modified:	2021-03-01
Release date:	2020-09-09
Identifier:	5-ethyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione

N02

N02
Name:	(1S,2S)-2-{[N-({[1-(tert-butoxycarbonyl)-4-ethylpiperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
Formula:	C26 H46 N4 O10 S
SMILES:	C(=O)(NC(C(=O)NC(C(O)S(=O)(=O)O)CC1CCNC1=O)CC(C)C)OC2(CCN(CC2)C(=O)OC(C)(C)C)CC
InChi:	InChI=1S/C26H46N4O10S/c1-7-26(9-12-30(13-10-26)24(35)40-25(4,5)6)39-23(34)29-18(14-16(2)3)21(32)28-19(22(33)41(36,37)38)15-17-8-11-27-20(17)31/h16-19,22,33H,7-15H2,1-6H3,(H,27,31)(H,28,32)(H,29,34)(H,36,37,38)/t17-,18-,19-,22-/m0/s1
Synonyms:	bound form
Definition date:	2017-07-28
Last modified:	2021-03-01
Release date:	2018-04-04
Identifier:	(1S,2S)-2-{[N-({[1-(tert-butoxycarbonyl)-4-ethylpiperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid

RW1

RW1
Name:	4-phenylpyrimidine
Formula:	C10 H8 N2
SMILES:	n1ccc(nc1)c2ccccc2
InChi:	InChI=1S/C10H8N2/c1-2-4-9(5-3-1)10-6-7-11-8-12-10/h1-8H
Synonyms:	6-phenylpyrimidine
Definition date:	2007-11-30
Last modified:	2021-03-01
Identifier:	4-phenylpyrimidine

YFF

YFF
Name:	2-{[(2S)-1-amino-5-{[(1Z)-2-fluoroethanimidoyl]amino}-1-oxopentan-2-yl]carbamoyl}benzoic acid
Formula:	C15 H19 F N4 O4
SMILES:	FCC(=[N@H])NCCCC(C(=O)N)NC(=O)c1ccccc1C(=O)O
InChi:	InChI=1S/C15H19FN4O4/c16-8-12(17)19-7-3-6-11(13(18)21)20-14(22)9-4-1-2-5-10(9)15(23)24/h1-2,4-5,11H,3,6-8H2,(H2,17,19)(H2,18,21)(H,20,22)(H,23,24)/t11-/m0/s1
Synonyms:	o-F-amidine
Definition date:	2011-08-16
Last modified:	2021-03-01
Identifier:	2-{[(2S)-1-amino-5-{[(1Z)-2-fluoroethanimidoyl]amino}-1-oxopentan-2-yl]carbamoyl}benzoic acid

WJP

WJP
Name:	methyl (3R,6Z,10E,14E)-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraen-1-yl dihydrogen diphosphate
Formula:	C26 H48 O7 P2
SMILES:	CC(CC[C@H]=C(CCC=C(/C)CCC=C(CC[C@H]=C(C)C)C)C)CCOP(=O)(O)OP(OC)(=O)O
InChi:	InChI=1S/C26H48O7P2/c1-22(2)12-8-13-23(3)14-9-15-24(4)16-10-17-25(5)18-11-19-26(6)20-21-32-35(29,30)33-34(27,28)31-7/h12,14,16,18,26H,8-11,13,15,17,19-21H2,1-7H3,(H,27,28)(H,29,30)/b23-14+,24-16+,25-18-/t26-/m1/s1
Synonyms:	dolichol-pp
Definition date:	2020-10-30
Last modified:	2021-03-01
Release date:	2020-11-11
Identifier:	methyl (3R,6Z,10E,14E)-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraen-1-yl dihydrogen diphosphate

JB7

JB7
Name:	N-({(1S)-5-[acetyl(4-bromobenzyl)amino]-1-carboxypentyl}carbamoyl)-L-glutamic acid
Formula:	C21 H28 Br N3 O8
SMILES:	Brc1ccc(cc1)CN(C(=O)C)CCCCC(C(=O)O)NC(=O)NC(C(=O)O)CCC(=O)O
InChi:	InChI=1S/C21H28BrN3O8/c1-13(26)25(12-14-5-7-15(22)8-6-14)11-3-2-4-16(19(29)30)23-21(33)24-17(20(31)32)9-10-18(27)28/h5-8,16-17H,2-4,9-12H2,1H3,(H,27,28)(H,29,30)(H,31,32)(H2,23,24,33)/t16-,17-/m0/s1
Synonyms:	(S)-2-(3-((S)-5-(N-(4-bromobenzyl)acetamido)-1-carboxypentyl)ureido)pentanedioic acid
Definition date:	2013-11-21
Last modified:	2021-03-01
Release date:	2014-06-18
Identifier:	N-({(1S)-5-[acetyl(4-bromobenzyl)amino]-1-carboxypentyl}carbamoyl)-L-glutamic acid

XXT

XXT
Name:	[(3aS,5R,5aS,6S,8S,8aS,9S,9aR)-9-acetyloxy-8-hydroxy-5,8a-dimethyl-1-methylidene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-6-yl] acetate
Formula:	C19 H26 O7
SMILES:	C[CH]1C[CH]2OC(=O)C(=C)[CH]2[CH](OC(C)=O)[C]3(C)[CH](O)C[CH](OC(C)=O)[CH]13
InChi:	InChI=1S/C19H26O7/c1-8-6-12-15(9(2)18(23)26-12)17(25-11(4)21)19(5)14(22)7-13(16(8)19)24-10(3)20/h8,12-17,22H,2,6-7H2,1,3-5H3/t8-,12+,13+,14+,15-,16-,17+,19-/m1/s1
Synonyms:	Britannin
Definition date:	2016-06-28
Last modified:	2021-03-01
Release date:	2017-06-28
Identifier:	[(3~{a}~{S},5~{R},5~{a}~{S},6~{S},8~{S},8~{a}~{S},9~{S},9~{a}~{R})-9-acetyloxy-5,8~{a}-dimethyl-1-methylidene-8-oxidanyl-2-oxidanylidene-4,5,5~{a},6,7,8,9,9~{a}-octahydro-3~{a}~{H}-azuleno[6,5-b]furan-6-yl] ethanoate

JB9

JB9
Name:	~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-5-[(2~{S},3~{R},4~{S},5~{S},6~{R})-4-[[1-[[3-[(~{Z})-3-[bis(azanyl)methylideneamino]prop-1-enyl]phenyl]methyl]-1,2,3-triazol-4-yl]methoxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-4-oxidanyl-2-prop-2-enoxy-oxan-3-yl]ethanamide
Formula:	C31 H45 N7 O11
SMILES:	CC(=O)N[CH]1[CH](O)[CH](O[CH]2O[CH](CO)[CH](O)[CH](OCc3cn(Cc4cccc(C=CCN=C(N)N)c4)nn3)[CH]2O)[CH](CO)O[CH]1OCC=C
InChi:	InChI=1S/C31H45N7O11/c1-3-10-45-29-23(35-17(2)41)25(43)27(22(15-40)48-29)49-30-26(44)28(24(42)21(14-39)47-30)46-16-20-13-38(37-36-20)12-19-7-4-6-18(11-19)8-5-9-34-31(32)33/h3-8,11,13,21-30,39-40,42-44H,1,9-10,12,14-16H2,2H3,(H,35,41)(H4,32,33,34)/b8-5-/t21-,22-,23-,24+,25-,26-,27-,28+,29-,30+/m1/s1
Synonyms:	JB97
Definition date:	2017-01-19
Last modified:	2021-03-01
Release date:	2018-02-14
Identifier:	~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-5-[(2~{S},3~{R},4~{S},5~{S},6~{R})-4-[[1-[[3-[(~{Z})-3-[bis(azanyl)methylideneamino]prop-1-enyl]phenyl]methyl]-1,2,3-triazol-4-yl]methoxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-4-oxidanyl-2-prop-2-enoxy-oxan-3-yl]ethanamide

SQD

SQD
Name:	1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL
Formula:	C41 H78 O12 S
SMILES:	O=S(=O)(O)CC1OC(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)C(O)C(O)C1O
InChi:	InChI=1S/C41H78O12S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(42)50-31-34(32-51-41-40(46)39(45)38(44)35(53-41)33-54(47,48)49)52-37(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34-35,38-41,44-46H,3-33H2,1-2H3,(H,47,48,49)/t34-,35-,38-,39+,40-,41+/m1/s1
Synonyms:	SULFOQUINOVOSYLDIACYLGLYCEROL
Definition date:	2003-11-03
Last modified:	2021-03-01
Identifier:	(2S)-2,3-bis(hexadecanoyloxy)propyl 6-deoxy-6-sulfo-alpha-D-glucopyranoside

SQL

SQL
Name:	(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
Formula:	C30 H50
SMILES:	C(=C/CC/C(=C/CCC(=C/CCC=C(/C)CCC=C(/C)CCC=C(/C)C)/C)C)(C)C
InChi:	InChI=1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24+
Synonyms:	squalene
Definition date:	2012-06-07
Last modified:	2021-03-01
Release date:	2013-05-15
Identifier:	(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene

XYA

XYA
Name:	2-(6-AMINO-OCTAHYDRO-PURIN-9-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL
Formula:	C10 H13 N5 O4
SMILES:	n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CO)N
InChi:	InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6+,7-,10-/m1/s1
Synonyms:	9-BETA-D-XYLOFURANOSYL-ADENINE
Definition date:	2003-06-23
Last modified:	2021-03-01
Identifier:	9-beta-D-xylofuranosyl-9H-purin-6-amine

XYB

XYB
Name:	4-O-beta-D-xylopyranosyl-beta-D-xylopyranose
Formula:	C10 H18 O9
SMILES:	O(C1COC(O)C(O)C1O)C2OCC(O)C(O)C2O
InChi:	InChI=1S/C10H18O9/c11-3-1-18-10(8(15)5(3)12)19-4-2-17-9(16)7(14)6(4)13/h3-16H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10+/m1/s1
Synonyms:	xylobiose
Definition date:	2012-05-29
Last modified:	2021-03-01
Release date:	2016-08-31
Identifier:	4-O-beta-D-xylopyranosyl-beta-D-xylopyranose

UDX

UDX
Name:	URIDINE-5'-DIPHOSPHATE-XYLOPYRANOSE
Formula:	C14 H22 N2 O16 P2
SMILES:	O=P(OC1OCC(O)C(O)C1O)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O
InChi:	InChI=1S/C14H22N2O16P2/c17-5-3-28-13(11(22)8(5)19)31-34(26,27)32-33(24,25)29-4-6-9(20)10(21)12(30-6)16-2-1-7(18)15-14(16)23/h1-2,5-6,8-13,17,19-22H,3-4H2,(H,24,25)(H,26,27)(H,15,18,23)/t5-,6-,8+,9-,10-,11-,12-,13-/m1/s1
Synonyms:	UDP-ALPHA-D-XYLOPYRANOSE
Definition date:	1999-12-13
Last modified:	2021-03-01
Identifier:	[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)

URD

URD
Name:	1-((2R,3R,4S,5R)-TETRAHYDRO-3,4-DIHYDROXY-5-(HYDROXYMETHYL)FURAN-2-YL)PYRIDINE-2,4(1H,3H)-DIONE
Formula:	C10 H13 N O6
SMILES:	O=C1C=CN(C(=O)C1)C2OC(C(O)C2O)CO
InChi:	InChI=1S/C10H13NO6/c12-4-6-8(15)9(16)10(17-6)11-2-1-5(13)3-7(11)14/h1-2,6,8-10,12,15-16H,3-4H2/t6-,8-,9-,10-/m1/s1
Synonyms:	3-DEAZAURIDINE
Definition date:	2005-04-08
Last modified:	2021-03-01
Identifier:	1-beta-D-ribofuranosylpyridine-2,4(1H,3H)-dione

XYM

XYM
Name:	(2Z)-3-[(carboxymethyl)sulfanyl]-2-hydroxyprop-2-enoic acid
Formula:	C5 H6 O5 S
SMILES:	OC(=O)CSC=C(O)C(O)=O
InChi:	InChI=1S/C5H6O5S/c6-3(5(9)10)1-11-2-4(7)8/h1,6H,2H2,(H,7,8)(H,9,10)/b3-1-
Synonyms:	(2Z)-2-hydroxy-3-(carboxymethylthio)propenoic acid
Definition date:	2010-02-05
Last modified:	2021-03-01
Identifier:	(Z)-3-(carboxymethylsulfanyl)-2-hydroxy-prop-2-enoic acid

XYN

XYN
Name:	3-[(carboxymethyl)sulfanyl]-2-oxopropanoic acid
Formula:	C5 H6 O5 S
SMILES:	OC(=O)CSCC(=O)C(O)=O
InChi:	InChI=1S/C5H6O5S/c6-3(5(9)10)1-11-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)
Synonyms:	3-(carboxymethylthio)-2-oxopropanoic acid
Definition date:	2010-02-05
Last modified:	2021-03-01
Identifier:	3-(carboxymethylsulfanyl)-2-oxo-propanoic acid

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