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A1LXU

A1LXU
Name:	5-(2-oxidanylidenepropyl)-8-[(2~{S},3~{S},4~{R})-2,3,4,5-tetrakis(oxidanyl)pentyl]-1,7-dihydropteridine-2,4,6-trione
Formula:	C14 H20 N4 O8
SMILES:	CC(=O)CN1C(=O)CN(C[CH](O)[CH](O)[CH](O)CO)C2=C1C(=O)NC(=O)N2
InChi:	InChI=1S/C14H20N4O8/c1-6(20)2-18-9(23)4-17(3-7(21)11(24)8(22)5-19)12-10(18)13(25)16-14(26)15-12/h7-8,11,19,21-22,24H,2-5H2,1H3,(H2,15,16,25,26)/t7-,8+,11-/m0/s1
Definition date:	2024-02-05
Last modified:	2024-10-25
Release date:	2024-10-30
Identifier:	5-(2-oxidanylidenepropyl)-8-[(2~{S},3~{S},4~{R})-2,3,4,5-tetrakis(oxidanyl)pentyl]-1,7-dihydropteridine-2,4,6-trione

A1A7R

A1A7R
Name:	3-[(2S)-2-{[(2R,3S,3aR,5aS,6R,11bR,11cS)-10-hydroxy-3a-methoxy-3,14-dimethyl-2-phenyl-2,3,3a,4,5,6,7,11c-octahydro-1H-6,11b-(epiminoethano)-3,5a-methanonaphtho[2,1-g]indol-1-yl]oxy}-2,3-dihydro-1H-imidazol-4-yl]-L-alanine
Formula:	C34 H43 N5 O5
SMILES:	O=C(O)C(N)CC=1NC(NC=1)ON1C(c2ccccc2)C2(C)CC34CCC2(OC)C1C14CCN(C)C3Cc2ccc(O)cc21
InChi:	InChI=1S/C34H43N5O5/c1-31-19-32-11-12-34(31,43-3)29(33(32)13-14-38(2)26(32)15-21-9-10-23(40)17-24(21)33)39(27(31)20-7-5-4-6-8-20)44-30-36-18-22(37-30)16-25(35)28(41)42/h4-10,17-18,25-27,29-30,36-37,40H,11-16,19,35H2,1-3H3,(H,41,42)/t25-,26+,27+,29-,30-,31-,32+,33-,34-/m0/s1
Definition date:	2024-09-17
Last modified:	2024-10-23
Release date:	2024-09-25
Identifier:	3-[(2S)-2-{[(2R,3S,3aR,5aS,6R,11bR,11cS)-10-hydroxy-3a-methoxy-3,14-dimethyl-2-phenyl-2,3,3a,4,5,6,7,11c-octahydro-1H-6,11b-(epiminoethano)-3,5a-methanonaphtho[2,1-g]indol-1-yl]oxy}-2,3-dihydro-1H-imidazol-4-yl]-L-alanine

7YO

7YO
Name:	(2R)-5-oxidanylidenepyrrolidine-2-carboxylic acid
Formula:	C5 H7 N O3
SMILES:	OC(=O)[CH]1CCC(=O)N1
InChi:	InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m1/s1
Definition date:	2017-02-15
Last modified:	2024-10-23
Release date:	2018-07-11
Identifier:	(2~{R})-5-oxidanylidenepyrrolidine-2-carboxylic acid

Y6O

Y6O
Name:	(2~{S})-3-cyclohexyl-2-[(2~{R},3~{R},4~{S},5~{S},6~{R})-2-[(1~{R},2~{R},3~{S})-3-ethyl-2-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-cyclohexyl]oxy-6-(hydroxymethyl)-5-oxidanyl-3-(phenylcarbonyloxy)oxan-4-yl]oxy-propanoic acid
Formula:	C36 H54 O14
SMILES:	CC[CH]1CCC[CH](O[CH]2O[CH](CO)[CH](O)[CH](O[CH](CC3CCCCC3)C(O)=O)[CH]2OC(=O)c4ccccc4)[CH]1O[CH]5O[CH](C)[CH](O)[CH](O)[CH]5O
InChi:	InChI=1S/C36H54O14/c1-3-21-15-10-16-23(30(21)50-35-29(41)28(40)26(38)19(2)45-35)47-36-32(49-34(44)22-13-8-5-9-14-22)31(27(39)25(18-37)48-36)46-24(33(42)43)17-20-11-6-4-7-12-20/h5,8-9,13-14,19-21,23-32,35-41H,3-4,6-7,10-12,15-18H2,1-2H3,(H,42,43)/t19-,21-,23+,24-,25+,26+,27-,28+,29-,30+,31-,32+,35-,36+/m0/s1
Definition date:	2023-11-23
Last modified:	2024-10-18
Release date:	2024-10-23
Identifier:	(2~{S})-3-cyclohexyl-2-[(2~{R},3~{R},4~{S},5~{S},6~{R})-2-[(1~{R},2~{R},3~{S})-3-ethyl-2-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-cyclohexyl]oxy-6-(hydroxymethyl)-5-oxidanyl-3-(phenylcarbonyloxy)oxan-4-yl]oxy-propanoic acid

Y6T

Y6T
Name:	(2~{S})-3-cyclohexyl-2-[(2~{R},3~{R},4~{S},5~{S},6~{R})-2-[(1~{R},2~{R},3~{S},5~{R})-3-ethyl-2-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-[3-[1-[3-oxidanylidene-3-[(3,6,8-trisulfonaphthalen-1-yl)amino]propyl]-1,2,3-triazol-4-yl]propylcarbamoyl]cyclohexyl]oxy-6-(hydroxymethyl)-5-oxidanyl-3-(phenylcarbonyloxy)oxan-4-yl]oxy-propanoic acid
Formula:	C55 H73 N5 O25 S3
SMILES:	CC[CH]1C[CH](C[CH](O[CH]2O[CH](CO)[CH](O)[CH](O[CH](CC3CCCCC3)C(O)=O)[CH]2OC(=O)c4ccccc4)[CH]1O[CH]5O[CH](C)[CH](O)[CH](O)[CH]5O)C(=O)NCCCc6cn(CCC(=O)Nc7cc(cc8cc(cc(c78)[S](O)(=O)=O)[S](O)(=O)=O)[S](O)(=O)=O)nn6
InChi:	InChI=1S/C55H73N5O25S3/c1-3-30-20-33(51(67)56-17-10-15-34-26-60(59-58-34)18-16-42(62)57-37-24-35(86(71,72)73)21-32-22-36(87(74,75)76)25-41(43(32)37)88(77,78)79)23-38(48(30)85-54-47(66)46(65)44(63)28(2)80-54)82-55-50(84-53(70)31-13-8-5-9-14-31)49(45(64)40(27-61)83-55)81-39(52(68)69)19-29-11-6-4-7-12-29/h5,8-9,13-14,21-22,24-26,28-30,33,38-40,44-50,54-55,61,63-66H,3-4,6-7,10-12,15-20,23,27H2,1-2H3,(H,56,67)(H,57,62)(H,68,69)(H,71,72,73)(H,74,75,76)(H,77,78,79)/t28-,30-,33+,38+,39-,40+,44+,45-,46+,47-,48+,49-,50+,54-,55+/m0/s1
Definition date:	2023-11-23
Last modified:	2024-10-18
Release date:	2024-10-23
Identifier:	(2~{S})-3-cyclohexyl-2-[(2~{R},3~{R},4~{S},5~{S},6~{R})-2-[(1~{R},2~{R},3~{S},5~{R})-3-ethyl-2-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-[3-[1-[3-oxidanylidene-3-[(3,6,8-trisulfonaphthalen-1-yl)amino]propyl]-1,2,3-triazol-4-yl]propylcarbamoyl]cyclohexyl]oxy-6-(hydroxymethyl)-5-oxidanyl-3-(phenylcarbonyloxy)oxan-4-yl]oxy-propanoic acid

XFU

XFU
Name:	5-[(3-fluorophenyl)methyl]-9-[[4-(trifluoromethyl)phenyl]methyl]-1,5,9,11-tetrazatricyclo[8.4.0.0^{2,7}]tetradeca-2(7),10-dien-8-one
Formula:	C25 H24 F4 N4 O
SMILES:	Fc1cccc(CN2CCC3=C(C2)C(=O)N(Cc4ccc(cc4)C(F)(F)F)C5=NCCCN35)c1
InChi:	InChI=1S/C25H24F4N4O/c26-20-4-1-3-18(13-20)14-31-12-9-22-21(16-31)23(34)33(24-30-10-2-11-32(22)24)15-17-5-7-19(8-6-17)25(27,28)29/h1,3-8,13H,2,9-12,14-16H2
Definition date:	2023-11-01
Last modified:	2024-10-18
Release date:	2024-10-23
Identifier:	5-[(3-fluorophenyl)methyl]-9-[[4-(trifluoromethyl)phenyl]methyl]-1,5,9,11-tetrazatricyclo[8.4.0.0^{2,7}]tetradeca-2(7),10-dien-8-one

X31

X31
Name:	1-{4-[{2-(azonan-1-yl)-6-methoxy-7-[3-(piperidin-1-yl)propoxy]quinazolin-4-yl}(methyl)amino]piperidin-1-yl}ethan-1-one
Formula:	C33 H52 N6 O3
SMILES:	CC(=O)N1CCC(CC1)N(C)c1nc(nc2cc(OCCCN3CCCCC3)c(OC)cc21)N1CCCCCCCC1
InChi:	InChI=1S/C33H52N6O3/c1-26(40)38-21-14-27(15-22-38)36(2)32-28-24-30(41-3)31(42-23-13-18-37-16-9-8-10-17-37)25-29(28)34-33(35-32)39-19-11-6-4-5-7-12-20-39/h24-25,27H,4-23H2,1-3H3
Definition date:	2023-10-20
Last modified:	2024-10-18
Release date:	2024-10-23
Identifier:	1-{4-[{2-(azonan-1-yl)-6-methoxy-7-[3-(piperidin-1-yl)propoxy]quinazolin-4-yl}(methyl)amino]piperidin-1-yl}ethan-1-one

X3F

X3F
Name:	5-(1,4-oxazepan-4-yl)-6-propanoylpyridine-2-carbonitrile
Formula:	C14 H17 N3 O2
SMILES:	CCC(=O)c1nc(C#N)ccc1N1CCCOCC1
InChi:	InChI=1S/C14H17N3O2/c1-2-13(18)14-12(5-4-11(10-15)16-14)17-6-3-8-19-9-7-17/h4-5H,2-3,6-9H2,1H3
Definition date:	2023-10-20
Last modified:	2024-10-18
Release date:	2024-10-23
Identifier:	5-(1,4-oxazepan-4-yl)-6-propanoylpyridine-2-carbonitrile

X3Q

X3Q
Name:	(7M)-7-[(4S)-imidazo[1,2-b]pyridazin-3-yl]-1-[(1R)-1-phenylethyl]-3-(piperazin-1-yl)pyrido[3,4-b]pyrazin-2(1H)-one
Formula:	C25 H24 N8 O
SMILES:	CC(c1ccccc1)N1c2cc(ncc2N=C(N2CCNCC2)C1=O)c1cnc2cccnn12
InChi:	InChI=1S/C25H24N8O/c1-17(18-6-3-2-4-7-18)32-21-14-19(22-16-28-23-8-5-9-29-33(22)23)27-15-20(21)30-24(25(32)34)31-12-10-26-11-13-31/h2-9,14-17,26H,10-13H2,1H3/t17-/m1/s1
Definition date:	2023-10-20
Last modified:	2024-10-18
Release date:	2024-10-23
Identifier:	(7M)-7-[(4S)-imidazo[1,2-b]pyridazin-3-yl]-1-[(1R)-1-phenylethyl]-3-(piperazin-1-yl)pyrido[3,4-b]pyrazin-2(1H)-one

X4H

X4H
Name:	Narazaciclib
Formula:	C24 H27 N7 O
SMILES:	CN1CCN(CC1)c1ccc(Nc2nc3N(C4CCCC4)C(=O)C(C#N)=Cc3cn2)cc1
InChi:	InChI=1S/C24H27N7O/c1-29-10-12-30(13-11-29)20-8-6-19(7-9-20)27-24-26-16-18-14-17(15-25)23(32)31(22(18)28-24)21-4-2-3-5-21/h6-9,14,16,21H,2-5,10-13H2,1H3,(H,26,27,28)
Synonyms:	8-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
Definition date:	2023-10-20
Last modified:	2024-10-18
Release date:	2024-10-23
Identifier:	8-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile

X4N

X4N
Name:	(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
Formula:	C24 H36 F3 N5 O4
SMILES:	CC1(C)C2C(C(=O)NC(C=N)CC3CCCNC3=O)N(CC21)C(=O)C(NC(=O)C(F)(F)F)C(C)(C)C
InChi:	InChI=1S/C24H36F3N5O4/c1-22(2,3)17(31-21(36)24(25,26)27)20(35)32-11-14-15(23(14,4)5)16(32)19(34)30-13(10-28)9-12-7-6-8-29-18(12)33/h10,12-17,28H,6-9,11H2,1-5H3,(H,29,33)(H,30,34)(H,31,36)/b28-10+/t12-,13-,14-,15-,16-,17+/m0/s1
Definition date:	2023-10-22
Last modified:	2024-10-18
Release date:	2024-10-23
Identifier:	(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide

Z53

Z53
Name:	(6S,9aS)-6-[(2S)-butan-2-yl]-4,7-bis(oxidanylidene)-8-(phenanthren-9-ylmethyl)-N-[4,4,4-tris(fluoranyl)butyl]-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide
Formula:	C31 H35 F3 N4 O3
SMILES:	CC[CH](C)[CH]1N2[CH](CN(Cc3cc4ccccc4c5ccccc35)C1=O)N(CCC2=O)C(=O)NCCCC(F)(F)F
InChi:	InChI=1S/C31H35F3N4O3/c1-3-20(2)28-29(40)36(18-22-17-21-9-4-5-10-23(21)25-12-7-6-11-24(22)25)19-26-37(16-13-27(39)38(26)28)30(41)35-15-8-14-31(32,33)34/h4-7,9-12,17,20,26,28H,3,8,13-16,18-19H2,1-2H3,(H,35,41)/t20-,26+,28-/m0/s1
Synonyms:	2-(4-(3-tert-butyl-5-(3-thiazol-2-ylureido)-1H-pyrazol-1-yl)phenyl)acetic acid
Definition date:	2023-02-10
Last modified:	2024-10-18
Release date:	2024-10-23
Identifier:	(6~{S},9~{a}~{S})-6-[(2~{S})-butan-2-yl]-4,7-bis(oxidanylidene)-8-(phenanthren-9-ylmethyl)-~{N}-[4,4,4-tris(fluoranyl)butyl]-3,6,9,9~{a}-tetrahydro-2~{H}-pyrazino[1,2-a]pyrimidine-1-carboxamide

X4W

X4W
Name:	(6P)-6-[(4S)-imidazo[1,2-a]pyridin-3-yl]-4-[(1R)-1-phenylethyl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
Formula:	C22 H18 N4 O2
SMILES:	CC(N1c2nc(ccc2OCC1=O)c1cnc2ccccn21)c1ccccc1
InChi:	InChI=1S/C22H18N4O2/c1-15(16-7-3-2-4-8-16)26-21(27)14-28-19-11-10-17(24-22(19)26)18-13-23-20-9-5-6-12-25(18)20/h2-13,15H,14H2,1H3/t15-/m1/s1
Definition date:	2023-10-23
Last modified:	2024-10-18
Release date:	2024-10-23
Identifier:	(6P)-6-[(4S)-imidazo[1,2-a]pyridin-3-yl]-4-[(1R)-1-phenylethyl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one

X5N

X5N
Name:	(6P)-6-[(4R)-imidazo[1,2-a]pyridin-3-yl]-4-(piperidin-4-yl)-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
Formula:	C19 H19 N5 O2
SMILES:	O=C1COc2ccc(nc2N1C1CCNCC1)c1cnc2ccccn21
InChi:	InChI=1S/C19H19N5O2/c25-18-12-26-16-5-4-14(15-11-21-17-3-1-2-10-23(15)17)22-19(16)24(18)13-6-8-20-9-7-13/h1-5,10-11,13,20H,6-9,12H2
Definition date:	2023-10-23
Last modified:	2024-10-18
Release date:	2024-10-23
Identifier:	(6P)-6-[(4R)-imidazo[1,2-a]pyridin-3-yl]-4-(piperidin-4-yl)-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one

X7F

X7F
Name:	5,8-bis(oxidanyl)naphthalene-1,4-dione
Formula:	C10 H6 O4
SMILES:	Oc1ccc(O)c2C(=O)C=CC(=O)c12
InChi:	InChI=1S/C10H6O4/c11-5-1-2-6(12)10-8(14)4-3-7(13)9(5)10/h1-4,11-12H
Definition date:	2023-10-24
Last modified:	2024-10-18
Release date:	2024-10-23
Identifier:	5,8-bis(oxidanyl)naphthalene-1,4-dione

YDT

YDT
Name:	N-[(5-fluoranyl-1-benzofuran-4-yl)methyl]-1,5-dimethyl-4-(1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ylsulfonyl)pyrrole-2-carboxamide
Formula:	C22 H22 F N5 O4 S
SMILES:	Cn1c(C)c(cc1C(=O)NCc2c(F)ccc3occc23)[S](=O)(=O)N4CCc5[nH]ncc5C4
InChi:	InChI=1S/C22H22FN5O4S/c1-13-21(33(30,31)28-7-5-18-14(12-28)10-25-26-18)9-19(27(13)2)22(29)24-11-16-15-6-8-32-20(15)4-3-17(16)23/h3-4,6,8-10H,5,7,11-12H2,1-2H3,(H,24,29)(H,25,26)
Definition date:	2023-12-03
Last modified:	2024-10-18
Release date:	2024-10-23
Identifier:	~{N}-[(5-fluoranyl-1-benzofuran-4-yl)methyl]-1,5-dimethyl-4-(1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ylsulfonyl)pyrrole-2-carboxamide

A1AUE

A1AUE
Name:	2-(2-chloroethoxy)-N-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]benzene-1-sulfonamide
Formula:	C14 H16 Cl N5 O5 S
SMILES:	Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1
InChi:	InChI=1S/C14H16ClN5O5S/c1-9-16-12(19-14(17-9)24-2)18-13(21)20-26(22,23)11-6-4-3-5-10(11)25-8-7-15/h3-6H,7-8H2,1-2H3,(H2,16,17,18,19,20,21)
Definition date:	2024-06-05
Last modified:	2024-10-18
Release date:	2024-10-23
Identifier:	2-(2-chloroethoxy)-N-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]benzene-1-sulfonamide

A1AUH

A1AUH
Name:	2-(2-fluoroethoxy)-N-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]benzene-1-sulfonamide
Formula:	C15 H17 F N4 O5 S
SMILES:	O=C(Nc1nc(C)cc(OC)n1)NS(=O)(=O)c1ccccc1OCCF
InChi:	InChI=1S/C15H17FN4O5S/c1-10-9-13(24-2)18-14(17-10)19-15(21)20-26(22,23)12-6-4-3-5-11(12)25-8-7-16/h3-6,9H,7-8H2,1-2H3,(H2,17,18,19,20,21)
Definition date:	2024-06-05
Last modified:	2024-10-18
Release date:	2024-10-23
Identifier:	2-(2-fluoroethoxy)-N-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]benzene-1-sulfonamide

WBW

WBW
Name:	(6S,9aS)-8-(anthracen-9-ylmethyl)-6-[(2S)-butan-2-yl]-4,7-bis(oxidanylidene)-N-[4,4,4-tris(fluoranyl)butyl]-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide
Formula:	C31 H35 F3 N4 O3
SMILES:	CC[CH](C)[CH]1N2[CH](CN(Cc3c4ccccc4cc5ccccc35)C1=O)N(CCC2=O)C(=O)NCCCC(F)(F)F
InChi:	InChI=1S/C31H35F3N4O3/c1-3-20(2)28-29(40)36(18-25-23-11-6-4-9-21(23)17-22-10-5-7-12-24(22)25)19-26-37(16-13-27(39)38(26)28)30(41)35-15-8-14-31(32,33)34/h4-7,9-12,17,20,26,28H,3,8,13-16,18-19H2,1-2H3,(H,35,41)/t20-,26+,28-/m0/s1
Definition date:	2023-02-10
Last modified:	2024-10-18
Release date:	2024-10-23
Identifier:	(6~{S},9~{a}~{S})-8-(anthracen-9-ylmethyl)-6-[(2~{S})-butan-2-yl]-4,7-bis(oxidanylidene)-~{N}-[4,4,4-tris(fluoranyl)butyl]-3,6,9,9~{a}-tetrahydro-2~{H}-pyrazino[1,2-a]pyrimidine-1-carboxamide

WS8

WS8
Name:	(3,5-dimethoxyphenyl)boronic acid
Formula:	C8 H11 B O4
SMILES:	COc1cc(cc(OC)c1)B(O)O
InChi:	InChI=1S/C8H11BO4/c1-12-7-3-6(9(10)11)4-8(5-7)13-2/h3-5,10-11H,1-2H3
Definition date:	2023-10-11
Last modified:	2024-10-18
Release date:	2024-10-23
Identifier:	(3,5-dimethoxyphenyl)boronic acid

A1BCT

A1BCT
Name:	1-{(3S)-3-[3-(4-amino-1,3,5-triazin-2-yl)-5-chlorophenyl]morpholin-4-yl}propan-1-one
Formula:	C16 H18 Cl N5 O2
SMILES:	O=C(CC)N1CCOCC1c1cc(cc(Cl)c1)c1ncnc(N)n1
InChi:	InChI=1S/C16H18ClN5O2/c1-2-14(23)22-3-4-24-8-13(22)10-5-11(7-12(17)6-10)15-19-9-20-16(18)21-15/h5-7,9,13H,2-4,8H2,1H3,(H2,18,19,20,21)
Definition date:	2024-10-04
Last modified:	2024-10-18
Release date:	2024-10-23
Identifier:	1-{(3S)-3-[3-(4-amino-1,3,5-triazin-2-yl)-5-chlorophenyl]morpholin-4-yl}propan-1-one

WU3

WU3
Name:	(2S)-2-dodecylsulfanylpropanoic acid
Formula:	C15 H30 O2 S
SMILES:	CCCCCCCCCCCCS[CH](C)C(O)=O
InChi:	InChI=1S/C15H30O2S/c1-3-4-5-6-7-8-9-10-11-12-13-18-14(2)15(16)17/h14H,3-13H2,1-2H3,(H,16,17)/t14-/m0/s1
Definition date:	2023-10-13
Last modified:	2024-10-18
Release date:	2024-10-23
Identifier:	(2~{S})-2-dodecylsulfanylpropanoic acid

WU8

WU8
Name:	3-dodecylsulfanyl-2,2-dimethyl-propanoic acid
Formula:	C17 H34 O2 S
SMILES:	CCCCCCCCCCCCSCC(C)(C)C(O)=O
InChi:	InChI=1S/C17H34O2S/c1-4-5-6-7-8-9-10-11-12-13-14-20-15-17(2,3)16(18)19/h4-15H2,1-3H3,(H,18,19)
Definition date:	2023-10-13
Last modified:	2024-10-18
Release date:	2024-10-23
Identifier:	3-dodecylsulfanyl-2,2-dimethyl-propanoic acid

PIJ

PIJ
Name:	[(2S)-1-hexadecanoyloxy-3-[hydroxy-[(2S,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] heptadecanoate
Formula:	C42 H81 O13 P
SMILES:	O=C(OCC(OC(=O)CCCCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCCCCCCC
InChi:	InChI=1S/C42H81O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36(44)54-34(33-53-56(50,51)55-42-40(48)38(46)37(45)39(47)41(42)49)32-52-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34,37-42,45-49H,3-33H2,1-2H3,(H,50,51)/t34-,37-,38-,39+,40+,41-,42-/m0/s1
Definition date:	2011-03-08
Last modified:	2024-10-18
Release date:	2024-10-23
Identifier:	(2S)-1-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propan-2-yl heptadecanoate

WWE

WWE
Name:	3-dodecylsulfanyl-3-methyl-butanoic acid
Formula:	C17 H34 O2 S
SMILES:	CCCCCCCCCCCCSC(C)(C)CC(O)=O
InChi:	InChI=1S/C17H34O2S/c1-4-5-6-7-8-9-10-11-12-13-14-20-17(2,3)15-16(18)19/h4-15H2,1-3H3,(H,18,19)
Definition date:	2023-10-16
Last modified:	2024-10-18
Release date:	2024-10-23
Identifier:	3-dodecylsulfanyl-3-methyl-butanoic acid

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