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SPL

SPL
Name:	OCTANOIC ACID (2-HYDROXY-1-HYDROXYMETHYL-HEPTADEC-3-ENYL)-AMIDE
Formula:	C26 H51 N O3
SMILES:	O=C(NC(CO)C(O)/C=C/CCCCCCCCCCCCC)CCCCCCC
InChi:	InChI=1S/C26H51NO3/c1-3-5-7-9-10-11-12-13-14-15-16-18-19-21-25(29)24(23-28)27-26(30)22-20-17-8-6-4-2/h19,21,24-25,28-29H,3-18,20,22-23H2,1-2H3,(H,27,30)/t24?,25-/m1/s1
Synonyms:	CERAMIDE
Definition date:	2003-11-05
Last modified:	2020-06-17
Identifier:	N-[(1S,2R,3E)-2-hydroxy-1-(hydroxymethyl)heptadec-3-en-1-yl]octanamide

UP6

UP6
Name:	6-AZA URIDINE 5'-MONOPHOSPHATE
Formula:	C8 H12 N3 O9 P
SMILES:	O=C1N(N=CC(=O)N1)C2OC(C(O)C2O)COP(=O)(O)O
InChi:	InChI=1S/C8H12N3O9P/c12-4-1-9-11(8(15)10-4)7-6(14)5(13)3(20-7)2-19-21(16,17)18/h1,3,5-7,13-14H,2H2,(H,10,12,15)(H2,16,17,18)/t3-,5-,6-,7-/m1/s1
Synonyms:	6-AZA-UMP
Definition date:	2000-02-02
Last modified:	2020-06-17
Identifier:	2-(5-O-phosphono-beta-D-ribofuranosyl)-1,2,4-triazine-3,5(2H,4H)-dione

PVK

PVK
Name:	(S)-1-(2'-Amino-2'-carboxyethyl)-5,7-dihydrofuro[3,4-d]-pyrimidine-2,4(1H,3H)-dione
Formula:	C9 H11 N3 O5
SMILES:	N[CH](CN1C(=O)NC(=O)C2=C1COC2)C(O)=O
InChi:	InChI=1S/C9H11N3O5/c10-5(8(14)15)1-12-6-3-17-2-4(6)7(13)11-9(12)16/h5H,1-3,10H2,(H,14,15)(H,11,13,16)/t5-/m0/s1
Synonyms:	(2~{S})-2-azanyl-3-[2,4-bis(oxidanylidene)furo[3,4-d]pyrimidin-1-yl]propanoic acid
Definition date:	2020-04-28
Last modified:	2020-06-17
Release date:	2020-06-03
Identifier:	(2~{S})-2-azanyl-3-[2,4-bis(oxidanylidene)-5,7-dihydrofuro[3,4-d]pyrimidin-1-yl]propanoic acid

XZN

XZN
Name:	4-[(3,5-DICHLORO-4-METHOXYPHENYL)AMINO]-6-METHOXY-7-[3-(4-METHYLPIPERAZIN-1-YL)PROPOXY]QUINOLINE-3-CARBONITRILE
Formula:	C26 H29 Cl2 N5 O3
SMILES:	Clc1cc(cc(Cl)c1OC)Nc4c(C#N)cnc3cc(OCCCN2CCN(CC2)C)c(OC)cc34
InChi:	InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-24-14-22-19(13-23(24)34-2)25(17(15-29)16-30-22)31-18-11-20(27)26(35-3)21(28)12-18/h11-14,16H,4-10H2,1-3H3,(H,30,31)
Synonyms:	BOSUTINIB ISOFORM 1
Definition date:	2012-10-01
Last modified:	2020-06-17
Release date:	2012-10-05
Identifier:	4-[(3,5-dichloro-4-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile

RHE

RHE
Name:	rhenium (IV) hexachloride
Formula:	Cl6 Re
SMILES:	Cl[Re](Cl)(Cl)(Cl)(Cl)Cl
InChi:	InChI=1S/6ClH.Re/h6*1H
Synonyms:	hexachlororhenate ion
Definition date:	2010-03-22
Last modified:	2020-06-17
Identifier:	rhenium(6+) hexachloride

TXC

TXC
Name:	2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl L-valinate
Formula:	C13 H20 N6 O4
SMILES:	O=C2NC(=Nc1c2ncn1COCCOC(=O)C(N)C(C)C)N
InChi:	InChI=1S/C13H20N6O4/c1-7(2)8(14)12(21)23-4-3-22-6-19-5-16-9-10(19)17-13(15)18-11(9)20/h5,7-8H,3-4,6,14H2,1-2H3,(H3,15,17,18,20)/t8-/m0/s1
Synonyms:	Valacyclovir
Definition date:	2012-04-18
Last modified:	2020-06-17
Identifier:	2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl L-valinate

ZAA

ZAA
Name:	(5-{3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]benzyl}-2-phenyl-2H-1,2,3-triazol-4-yl)acetic acid
Formula:	C29 H26 N4 O4
SMILES:	O=C(O)Cc1nn(nc1Cc4cc(OCCc2nc(oc2C)c3ccccc3)ccc4)c5ccccc5
InChi:	InChI=1S/C29H26N4O4/c1-20-25(30-29(37-20)22-10-4-2-5-11-22)15-16-36-24-14-8-9-21(17-24)18-26-27(19-28(34)35)32-33(31-26)23-12-6-3-7-13-23/h2-14,17H,15-16,18-19H2,1H3,(H,34,35)
Synonyms:	2-(5-(3-(2-(5-METHYL-2-PHENYLOXAZOL-4-YL)ETHOXY)BENZYL)-2-PHENYL-2H-1,2,3-TRIAZOL-4-YL)ACETIC ACID
Definition date:	2007-12-06
Last modified:	2020-06-17
Identifier:	(5-{3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]benzyl}-2-phenyl-2H-1,2,3-triazol-4-yl)acetic acid

SAS

SAS
Name:	2-HYDROXY-(5-([4-(2-PYRIDINYLAMINO)SULFONYL]PHENYL)AZO)BENZOIC ACID
Formula:	C18 H14 N4 O5 S
SMILES:	O=S(=O)(Nc1ncccc1)c3ccc(/N=N/c2cc(C(=O)O)c(O)cc2)cc3
InChi:	InChI=1S/C18H14N4O5S/c23-16-9-6-13(11-15(16)18(24)25)21-20-12-4-7-14(8-5-12)28(26,27)22-17-3-1-2-10-19-17/h1-11,23H,(H,19,22)(H,24,25)/b21-20+
Synonyms:	SULFASALAZINE
Definition date:	1999-07-08
Last modified:	2020-06-17
Identifier:	2-hydroxy-5-{(E)-[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl}benzoic acid

TXE

TXE
Name:	[[(2R,3S,4R,5R)-5-[(3R)-3-aminocarbonyl-3,4-dihydro-2H-pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-ph osphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate
Formula:	C21 H31 N7 O14 P2
SMILES:	NC(=O)[CH]1CC=CN(C1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O
InChi:	InChI=1S/C21H31N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1,3,7-11,13-16,20-21,29-32H,2,4-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/p-2/t9-,10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
Synonyms:	1,2,3,4-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE
Definition date:	2013-10-31
Last modified:	2020-06-17
Release date:	2014-10-29
Identifier:	[[(2R,3S,4R,5R)-5-[(3R)-3-aminocarbonyl-3,4-dihydro-2H-pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate

TIY

TIY
Name:	2,3,4,6-tetrahydroxy-5H-benzo[7]annulen-5-one
Formula:	C11 H8 O5
SMILES:	O=C2c1c(O)c(O)c(O)cc1C=CC=C2O
InChi:	InChI=1S/C11H8O5/c12-6-3-1-2-5-4-7(13)10(15)11(16)8(5)9(6)14/h1-4,13,15-16H,(H,12,14)
Synonyms:	Purpurogallin
Definition date:	2011-08-30
Last modified:	2020-06-17
Identifier:	2,3,4,6-tetrahydroxy-5H-benzo[7]annulen-5-one

UPF

UPF
Name:	URIDINE-5'-DIPHOSPHATE-2-DEOXY-2-FLUOROGALACTOSE
Formula:	C15 H23 F N2 O16 P2
SMILES:	O=P(OC1OC(C(O)C(O)C1F)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O
InChi:	InChI=1S/C15H23FN2O16P2/c16-8-11(23)9(21)5(3-19)32-14(8)33-36(28,29)34-35(26,27)30-4-6-10(22)12(24)13(31-6)18-2-1-7(20)17-15(18)25/h1-2,5-6,8-14,19,21-24H,3-4H2,(H,26,27)(H,28,29)(H,17,20,25)/t5-,6-,8-,9+,10-,11-,12-,13-,14-/m1/s1
Synonyms:	URIDINE-5'-MONOPHOSPHATE 2-DEOXY-2-FLUORO-GALACTOPYRANOSYL-MONOPHOSPHATE ESTER
Definition date:	2000-11-30
Last modified:	2020-06-17
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,6R)-3-fluoro-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)

SPU

SPU
Name:	2-{[(R)-{[(2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl]oxy}(hydroxy)phosphoryl]oxy}-N,N,N-trimethylethanaminium
Formula:	C23 H50 N2 O5 P
SMILES:	O=P(OCC(N)C(O)/C=C/CCCCCCCCCCCCC)(OCC[N+](C)(C)C)O
InChi:	InChI=1S/C23H49N2O5P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)22(24)21-30-31(27,28)29-20-19-25(2,3)4/h17-18,22-23,26H,5-16,19-21,24H2,1-4H3/p+1/b18-17+/t22-,23+/m0/s1
Synonyms:	sphingosylphosphorylcholine, sphingosine phosphorylcholine
Definition date:	2009-07-28
Last modified:	2020-06-17
Identifier:	2-{[(R)-{[(2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl]oxy}(hydroxy)phosphoryl]oxy}-N,N,N-trimethylethanaminium

SAU

SAU
Name:	13-methyl[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-13-ium
Formula:	C20 H14 N O4
SMILES:	O1c3c(OC1)c2c[n+](c5c(c2cc3)ccc6cc4OCOc4cc56)C
InChi:	InChI=1S/C20H14NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-8H,9-10H2,1H3/q+1
Synonyms:	Sanguinarine
Definition date:	2010-07-25
Last modified:	2020-06-17
Identifier:	13-methyl[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-13-ium

VIT

VIT
Name:	VITAMIN E
Formula:	C29 H50 O2
SMILES:	Oc2c(c(c1OC(CCc1c2C)(C)CCCC(C)CCCC(C)CCCC(C)C)C)C
InChi:	InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21-,22-,29-/m0/s1
Synonyms:	2,5,7,8-TETRAMETHYL-2-(4,8,12-TRIMETHYLTRIDECYL)-6-CHROMANOL
Definition date:	2000-08-02
Last modified:	2020-06-17
Identifier:	(2S)-2,5,7,8-tetramethyl-2-[(4S,8S)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-ol

RHM

RHM
Name:	DELTA-ALPHA-RH[2R,9R-DIAMINO-4,7-DIAZADECANE]9,10-PHENANTHRENEQUINONE DIIMINE
Formula:	C22 H27 N6 Rh
SMILES:	N3=C6c1ccccc1c2ccccc2C6=N[Rh+2]345NC(C)CNCCN5CC(N4)C
InChi:	InChI=1S/C14H8N2.C8H19N4.Rh/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16
Synonyms:	RH(ME2TRIEN)PHI
Definition date:	1999-07-08
Last modified:	2020-06-17
Identifier:	[(2R,2'R)-N~1~,N~1~'-ethane-1,2-diyldipropane-1,2-diaminato(3-)-kappa~2~N,N'][phenanthrene-9,10-diiminato(2-)-kappa~2~N,N']rhodium(2+)

RHN

RHN
Name:	4,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid
Formula:	C15 H8 O6
SMILES:	O=C(O)c3cc2C(=O)c1cccc(O)c1C(=O)c2c(O)c3
InChi:	InChI=1S/C15H8O6/c16-9-3-1-2-7-11(9)14(19)12-8(13(7)18)4-6(15(20)21)5-10(12)17/h1-5,16-17H,(H,20,21)
Synonyms:	Rhein
Definition date:	2011-03-15
Last modified:	2020-06-17
Identifier:	4,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid

RHO

RHO
Name:	TETRAMETHYLRHODAMINE-5-MALEIMIDE
Formula:	C28 H25 N3 O5
SMILES:	O=C1C=CC(=O)N1c5ccc(C=2c4c(OC=3C=2CC=C(N(C)C)C=3)cc(cc4)N(C)C)c(C(=O)O)c5
InChi:	InChI=1S/C28H25N3O5/c1-29(2)16-5-9-20-23(14-16)36-24-15-17(30(3)4)6-10-21(24)27(20)19-8-7-18(13-22(19)28(34)35)31-25(32)11-12-26(31)33/h5-9,11-15H,10H2,1-4H3,(H,34,35)
Synonyms:	TMR
Definition date:	2001-05-23
Last modified:	2020-06-17
Identifier:	2-[3,6-bis(dimethylamino)-1H-xanthen-9-yl]-5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid

WDL

WDL
Name:	1,3,5-triazine-2,4,6-triol
Formula:	C3 H3 N3 O3
SMILES:	Oc1nc(O)nc(O)n1
InChi:	InChI=1S/C3H3N3O3/c7-1-4-2(8)6-3(9)5-1/h(H3,4,5,6,7,8,9)
Synonyms:	Cyanuric Acid
Definition date:	2012-12-19
Last modified:	2020-06-17
Release date:	2013-05-22
Identifier:	1,3,5-triazine-2,4,6-triol

SAZ

SAZ
Name:	(1S)-N,4-DIMETHYL-N-(4-METHYLPENT-3-ENYL)CYCLOHEX-3-ENAMINIUM
Formula:	C14 H26 N
SMILES:	C1=C(C)CCC([NH+](C)CCC=C(/C)C)C1
InChi:	InChI=1S/C14H25N/c1-12(2)6-5-11-15(4)14-9-7-13(3)8-10-14/h6-7,14H,5,8-11H2,1-4H3/p+1/t14-/m0/s1
Synonyms:	(4S)-7-AZABISABOLENE
Definition date:	2005-03-04
Last modified:	2020-06-17
Identifier:	(1R)-N,4-dimethyl-N-(4-methylpent-3-en-1-yl)cyclohex-3-en-1-aminium

UPL

UPL
Name:	UNKNOWN BRANCHED FRAGMENT OF PHOSPHOLIPID
Formula:	C34 H70
SMILES:	C(CCCCCCCC(CCCCCCCCC)CCCCCCCCCCC)CCCCC
InChi:	InChI=1S/C34H70/c1-4-7-10-13-16-18-19-21-24-27-30-33-34(31-28-25-22-15-12-9-6-3)32-29-26-23-20-17-14-11-8-5-2/h34H,4-33H2,1-3H3
Synonyms:	UNKNOWN PHOSPHOLIPID FRAGMENT
Definition date:	2002-06-13
Last modified:	2020-06-17
Identifier:	12-nonylpentacosane

SQ
Name:	3-ETHYLAMINO-4-METHYLAMINO-CYCLOBUTANE-1,2-DIONE
Formula:	C7 H12 N2 O2
SMILES:	O=C1C(=O)C(NCC)C1NC
InChi:	InChI=1S/C7H12N2O2/c1-3-9-5-4(8-2)6(10)7(5)11/h4-5,8-9H,3H2,1-2H3
Synonyms:	SQUARIC ACID
Definition date:	2002-08-13
Last modified:	2020-06-17
Identifier:	(3R,4S)-3-(ethylamino)-4-(methylamino)cyclobutane-1,2-dione

QPP

QPP
Name:	N-(5-METHYL-1H-PYRAZOL-3-YL)-2-PHENYLQUINAZOLIN-4-AMINE
Formula:	C18 H15 N5
SMILES:	n2c(Nc1nnc(c1)C)c4ccccc4nc2c3ccccc3
InChi:	InChI=1S/C18H15N5/c1-12-11-16(23-22-12)20-18-14-9-5-6-10-15(14)19-17(21-18)13-7-3-2-4-8-13/h2-11H,1H3,(H2,19,20,21,22,23)
Synonyms:	5,6-DIHYDRO-BENZO[H]CINNOLIN-3-YLAMINE
Definition date:	2006-12-19
Last modified:	2020-06-17
Identifier:	N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine

TXQ

TXQ
Name:	1,2,5,8-tetrahydroxyanthracene-9,10-dione
Formula:	C14 H8 O6
SMILES:	O=C2c1ccc(O)c(O)c1C(=O)c3c2c(O)ccc3O
InChi:	InChI=1S/C14H8O6/c15-6-3-4-7(16)11-10(6)12(18)5-1-2-8(17)13(19)9(5)14(11)20/h1-4,15-17,19H
Synonyms:	1,2,5,8-tetrahydroxy-anthraquinone
Definition date:	2008-12-22
Last modified:	2020-06-17
Identifier:	1,2,5,8-tetrahydroxyanthracene-9,10-dione

T4F

T4F
Name:	(2~{S})-6-azanyl-2-[[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(1~{R},2~{S},4~{R})-1,7,7-trimethyl-2-bicyclo[2.2.1]hepta nyl]amino]propan-2-yl]sulfamoylamino]hexanoic acid
Formula:	C25 H46 N4 O5 S
SMILES:	CC1(C)[CH]2CC[C]1(C)[CH](C2)NC(=O)[CH](CC3CCCCC3)N[S](=O)(=O)N[CH](CCCCN)C(O)=O
InChi:	InChI=1S/C25H46N4O5S/c1-24(2)18-12-13-25(24,3)21(16-18)27-22(30)20(15-17-9-5-4-6-10-17)29-35(33,34)28-19(23(31)32)11-7-8-14-26/h17-21,28-29H,4-16,26H2,1-3H3,(H,27,30)(H,31,32)/t18-,19+,20+,21+,25+/m1/s1
Synonyms:	tafCPB
Definition date:	2016-09-28
Last modified:	2020-06-17
Release date:	2016-10-26
Identifier:	(2~{S})-6-azanyl-2-[[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(1~{R},2~{S},4~{R})-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propan-2-yl]sulfamoylamino]hexanoic acid

TXS

TXS
Name:	1-(2,5-dideoxy-5-pyrrolidin-1-yl-beta-L-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione
Formula:	C14 H21 N3 O4
SMILES:	O=C1NC(=O)N(C=C1C)C2OC(C(O)C2)CN3CCCC3
InChi:	InChI=1S/C14H21N3O4/c1-9-7-17(14(20)15-13(9)19)12-6-10(18)11(21-12)8-16-4-2-3-5-16/h7,10-12,18H,2-6,8H2,1H3,(H,15,19,20)/t10-,11+,12+/m1/s1
Synonyms:	5'-deoxy-5'-pyrrolidin-1-ylthymidine
Definition date:	2008-05-28
Last modified:	2020-06-17
Identifier:	1-(2,5-dideoxy-5-pyrrolidin-1-yl-beta-L-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione

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