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EI0

EI0
Name:	~{O}3-~{tert}-butyl ~{O}1-methyl (1~{S},3~{R})-4-oxidanylidene-1-(phenylmethyl)cyclohexane-1,3-dicarboxylate
Formula:	C20 H26 O5
SMILES:	CC(C)(C)OC(=O)C1CC(Cc2ccccc2)(CCC1=O)C(=O)OC
InChi:	InChI=1S/C20H26O5/c1-19(2,3)25-17(22)15-13-20(18(23)24-4,11-10-16(15)21)12-14-8-6-5-7-9-14/h5-9,15H,10-13H2,1-4H3/t15-,20-/m1/s1
Definition date:	2023-07-18
Last modified:	2024-09-27
Release date:	2024-07-24
Identifier:	~{O}3-~{tert}-butyl ~{O}1-methyl (1~{S},3~{R})-4-oxidanylidene-1-(phenylmethyl)cyclohexane-1,3-dicarboxylate

EI3

EI3
Name:	5-methyl-2-(5-methylpyridin-2-yl)pyridine
Formula:	C12 H12 N2
SMILES:	Cc1ccc(nc1)c2ccc(C)cn2
InChi:	InChI=1S/C12H12N2/c1-9-3-5-11(13-7-9)12-6-4-10(2)8-14-12/h3-8H,1-2H3
Definition date:	2015-09-25
Last modified:	2024-09-27
Release date:	2016-09-14
Identifier:	5-methyl-2-(5-methylpyridin-2-yl)pyridine

EI4

EI4
Name:	Enduracididine
Formula:	C6 H12 N4 O2
SMILES:	N[CH](C[CH]1CNC(=N)N1)C(O)=O
InChi:	InChI=1S/C6H12N4O2/c7-4(5(11)12)1-3-2-9-6(8)10-3/h3-4H,1-2,7H2,(H,11,12)(H3,8,9,10)/t3-,4-/m0/s1
Definition date:	2022-01-05
Last modified:	2024-09-27
Release date:	2022-08-03
Identifier:	(2~{S})-2-azanyl-3-[(4~{S})-2-azanylideneimidazolidin-4-yl]propanoic acid

EI8

EI8
Name:	3-{[(4-cyanophenyl)methyl](1-oxo-1,2-dihydroisoquinolin-7-yl)sulfamoyl}benzene-1-sulfonyl fluoride
Formula:	C23 H16 F N3 O5 S2
SMILES:	C(#N)c1ccc(cc1)CN(c2cc3c(cc2)C=CNC3=O)S(c4cc(S(=O)(=O)F)ccc4)(=O)=O
InChi:	InChI=1S/C23H16FN3O5S2/c24-33(29,30)20-2-1-3-21(13-20)34(31,32)27(15-17-6-4-16(14-25)5-7-17)19-9-8-18-10-11-26-23(28)22(18)12-19/h1-13H,15H2,(H,26,28)
Definition date:	2019-08-14
Last modified:	2024-09-27
Release date:	2019-10-16
Identifier:	3-{[(4-cyanophenyl)methyl](1-oxo-1,2-dihydroisoquinolin-7-yl)sulfamoyl}benzene-1-sulfonyl fluoride

EI9

EI9
Name:	3-{(1-oxo-1,2-dihydroisoquinolin-7-yl)[(pyridin-4-yl)methyl]sulfamoyl}benzene-1-sulfonyl fluoride
Formula:	C21 H16 F N3 O5 S2
SMILES:	C1(=O)NC=Cc2c1cc(cc2)N(Cc3ccncc3)S(c4cccc(c4)S(=O)(=O)F)(=O)=O
InChi:	InChI=1S/C21H16FN3O5S2/c22-31(27,28)18-2-1-3-19(13-18)32(29,30)25(14-15-6-9-23-10-7-15)17-5-4-16-8-11-24-21(26)20(16)12-17/h1-13H,14H2,(H,24,26)
Definition date:	2019-08-20
Last modified:	2024-09-27
Release date:	2019-10-23
Identifier:	3-{(1-oxo-1,2-dihydroisoquinolin-7-yl)[(pyridin-4-yl)methyl]sulfamoyl}benzene-1-sulfonyl fluoride

EIB

EIB
Name:	[(3S,3aR,4R,6Z,9S,10E,11aR)-9-acetyloxy-6-(acetyloxymethyl)-3,10-dimethyl-2-oxidanylidene-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-4-yl] (E)-2-methyl-4-oxidanyl-but-2-enoate
Formula:	C24 H32 O9
SMILES:	C[CH]1[CH]2[CH](CC(=CC[CH](OC(C)=O)C(=C[CH]2OC1=O)C)COC(C)=O)OC(=O)C(C)=CCO
InChi:	InChI=1S/C24H32O9/c1-13(8-9-25)23(28)32-21-11-18(12-30-16(4)26)6-7-19(31-17(5)27)14(2)10-20-22(21)15(3)24(29)33-20/h6,8,10,15,19-22,25H,7,9,11-12H2,1-5H3/b13-8+,14-10+,18-6-/t15-,19-,20+,21+,22-/m0/s1
Synonyms:	Bound form of Eupalinolide B
Definition date:	2020-07-03
Last modified:	2024-09-27
Release date:	2022-08-24
Identifier:	[(3~{S},3~{a}~{R},4~{R},6~{Z},9~{S},10~{E},11~{a}~{R})-9-acetyloxy-6-(acetyloxymethyl)-3,10-dimethyl-2-oxidanylidene-3~{a},4,5,8,9,11~{a}-hexahydro-3~{H}-cyclodeca[b]furan-4-yl] (~{E})-2-methyl-4-oxidanyl-but-2-enoate

EIP

EIP
Name:	4-HYDROXY-3-METHYL BUTYL DIPHOSPHATE
Formula:	C5 H14 O8 P2
SMILES:	O=P(OP(=O)(OCCC(CO)C)O)(O)O
InChi:	InChI=1S/C5H14O8P2/c1-5(4-6)2-3-12-15(10,11)13-14(7,8)9/h5-6H,2-4H2,1H3,(H,10,11)(H2,7,8,9)/t5-/m0/s1
Definition date:	2002-12-18
Last modified:	2024-09-27
Identifier:	(3S)-4-hydroxy-3-methylbutyl trihydrogen diphosphate

EIX

EIX
Name:	[(2R,3S,5S)-5-[(4R,5R)-6-azanyl-5-fluoranyl-5-methyl-2-oxidanylidene-4-sulfanyl-4H-pyrimidin-3-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
Formula:	C10 H17 F N3 O7 P S
SMILES:	C[C]1(F)[CH](S)N([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)N=C1N
InChi:	InChI=1S/C10H17FN3O7PS/c1-10(11)7(12)13-9(16)14(8(10)23)6-2-4(15)5(21-6)3-20-22(17,18)19/h4-6,8,15,23H,2-3H2,1H3,(H2,12,13,16)(H2,17,18,19)/t4-,5+,6-,8+,10+/m0/s1
Definition date:	2022-04-20
Last modified:	2024-09-27
Release date:	2022-11-30
Identifier:	[(2~{R},3~{S},5~{S})-5-[(4~{R},5~{R})-6-azanyl-5-fluoranyl-5-methyl-2-oxidanylidene-4-sulfanyl-4~{H}-pyrimidin-3-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate

EJA

EJA
Name:	S-[(1Z)-2-carboxy-N-hydroxyethanimidoyl]-L-cysteine
Formula:	C6 H10 N2 O5 S
SMILES:	NC(CSC(=N/O)CC(O)=O)C(O)=O
InChi:	InChI=1S/C6H10N2O5S/c7-3(6(11)12)2-14-4(8-13)1-5(9)10/h3,13H,1-2,7H2,(H,9,10)(H,11,12)/b8-4-/t3-/m0/s1
Definition date:	2018-01-12
Last modified:	2024-09-27
Release date:	2018-06-06
Identifier:	S-[(1Z)-2-carboxy-N-hydroxyethanimidoyl]-L-cysteine

EJF

EJF
Name:	N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]-1H-indole-2-carboxamide
Formula:	C27 H37 N5 O5
SMILES:	CC(C)C[CH](NC(=O)[CH](NC(=O)c1[nH]c2ccccc2c1)C(C)C)C(=O)N[CH](C[CH]3CCNC3=O)C=O
InChi:	InChI=1S/C27H37N5O5/c1-15(2)11-21(25(35)29-19(14-33)12-18-9-10-28-24(18)34)31-27(37)23(16(3)4)32-26(36)22-13-17-7-5-6-8-20(17)30-22/h5-8,13-16,18-19,21,23,30H,9-12H2,1-4H3,(H,28,34)(H,29,35)(H,31,37)(H,32,36)/t18-,19-,21-,23-/m0/s1
Definition date:	2020-01-07
Last modified:	2024-09-27
Release date:	2020-05-27
Identifier:	~{N}-[(2~{S})-3-methyl-1-[[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]-1~{H}-indole-2-carboxamide

EJI

EJI
Name:	methyl 4-[(2~{S},3~{R})-3-(4-fluorophenyl)-1-(1-methanoylpiperidin-4-yl)-4-oxidanylidene-azetidin-2-yl]benzoate
Formula:	C23 H23 F N2 O4
SMILES:	COC(=O)c1ccc(cc1)[CH]2[CH](C(=O)N2C3CCN(CC3)C=O)c4ccc(F)cc4
InChi:	InChI=1S/C23H23FN2O4/c1-30-23(29)17-4-2-16(3-5-17)21-20(15-6-8-18(24)9-7-15)22(28)26(21)19-10-12-25(14-27)13-11-19/h2-9,14,19-21H,10-13H2,1H3/t20-,21+/m1/s1
Definition date:	2023-07-18
Last modified:	2024-09-27
Release date:	2024-01-31
Identifier:	methyl 4-[(2~{S},3~{R})-3-(4-fluorophenyl)-1-(1-methanoylpiperidin-4-yl)-4-oxidanylidene-azetidin-2-yl]benzoate

EKZ

EKZ
Name:	4-tert-butylbenzene-1,2-diol
Formula:	C10 H14 O2
SMILES:	Oc1ccc(cc1O)C(C)(C)C
InChi:	InChI=1S/C10H14O2/c1-10(2,3)7-4-5-8(11)9(12)6-7/h4-6,11-12H,1-3H3
Synonyms:	4-tert-Butylcatechol (CAS 98-29-3)
Definition date:	2013-05-21
Last modified:	2024-09-27
Release date:	2014-04-23
Identifier:	4-tert-butylbenzene-1,2-diol

EL5

EL5
Name:	3-[(2Z)-2-({3-(2-carboxyethyl)-5-[(E)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl}methylidene)-5-{(Z)-[(3E,4S)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-3-yl]propanoic acid
Formula:	C33 H36 N4 O6
SMILES:	CC=C1C(=C/C2=N/C(=Cc3[NH]c(/C=C4/NC(=O)C(C=C)=C4C)c(C)c3CCC(=O)O)C(CCC(=O)O)=C2C)/NC(=O)C1C
InChi:	InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-15,19,34H,2,9-12H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b20-7+,26-13+,27-14-,29-15-/t19-/m0/s1
Synonyms:	biliverdin, bound form at Pfr state
Definition date:	2018-03-26
Last modified:	2024-09-27
Release date:	2018-11-28
Identifier:	3-[(2Z)-2-({3-(2-carboxyethyl)-5-[(E)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl}methylidene)-5-{(Z)-[(3E,4S)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-3-yl]propanoic acid

ELI

ELI
Name:	6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-2-YL)HEXANOIC ACID
Formula:	C17 H18 O4
SMILES:	O=C2c1c(cccc1)C(=O)C(=C2C)CCCCCC(=O)O
InChi:	InChI=1S/C17H18O4/c1-11-12(7-3-2-4-10-15(18)19)17(21)14-9-6-5-8-13(14)16(11)20/h5-6,8-9H,2-4,7,10H2,1H3,(H,18,19)
Definition date:	2006-04-06
Last modified:	2024-09-27
Identifier:	6-(3-methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl)hexanoic acid

ELL

ELL
Name:	(2S)-2-azanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propanal
Formula:	C7 H12 N2 O2
SMILES:	N[CH](C[CH]1CCNC1=O)C=O
InChi:	InChI=1S/C7H12N2O2/c8-6(4-10)3-5-1-2-9-7(5)11/h4-6H,1-3,8H2,(H,9,11)/t5-,6-/m0/s1
Definition date:	2020-01-14
Last modified:	2024-09-27
Release date:	2020-04-29
Identifier:	(2~{S})-2-azanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propanal

ELT

ELT
Name:	ethoxy-~{N},~{N}-dimethyl-phosphonamidic acid
Formula:	C4 H12 N O3 P
SMILES:	CCO[P](O)(=O)N(C)C
InChi:	InChI=1S/C4H12NO3P/c1-4-8-9(6,7)5(2)3/h4H2,1-3H3,(H,6,7)
Definition date:	2018-03-28
Last modified:	2024-09-27
Release date:	2018-08-29
Identifier:	ethoxy-~{N},~{N}-dimethyl-phosphonamidic acid

ELY

ELY
Name:	N~6~,N~6~-diethyl-L-lysine
Formula:	C10 H22 N2 O2
SMILES:	C(=O)(C(N)CCCCN(CC)CC)O
InChi:	InChI=1S/C10H22N2O2/c1-3-12(4-2)8-6-5-7-9(11)10(13)14/h9H,3-8,11H2,1-2H3,(H,13,14)/t9-/m0/s1
Synonyms:	(2S)-2-azanyl-6-(diethylamino)hexanoic acid
Definition date:	2011-03-25
Last modified:	2024-09-27
Identifier:	N~6~,N~6~-diethyl-L-lysine

EME

EME
Name:	N-methyl-L-glutamic acid
Formula:	C6 H11 N O4
SMILES:	O=C(O)C(NC)CCC(=O)O
InChi:	InChI=1S/C6H11NO4/c1-7-4(6(10)11)2-3-5(8)9/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-/m0/s1
Definition date:	2012-03-20
Last modified:	2024-09-27
Identifier:	N-methyl-L-glutamic acid

EMM

EMM
Name:	[METHYL(VINYL)AMINO]METHANOL
Formula:	C4 H7 N O2
SMILES:	O=C(O)N(C=C)C
InChi:	InChI=1S/C4H7NO2/c1-3-5(2)4(6)7/h3H,1H2,2H3,(H,6,7)
Synonyms:	N,N-ETHYLMETHYLCARBAMATE
Definition date:	2001-12-04
Last modified:	2024-09-27
Identifier:	ethenyl(methyl)carbamic acid

ENB

ENB
Name:	ETHYL (2E,4S)-4-[((2R)-2-{[N-(TERT-BUTOXYCARBONYL)-L-VALYL]AMINO}-2-PHENYLETHANOYL)AMINO]-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENT-2-ENOATE
Formula:	C29 H42 N4 O7
SMILES:	O=C(OC(C)(C)C)NC(C(=O)NC(C(=O)NC(C=CC(=O)OCC)CC1C(=O)NCC1)c2ccccc2)C(C)C
InChi:	InChI=1S/C29H42N4O7/c1-7-39-22(34)14-13-21(17-20-15-16-30-25(20)35)31-27(37)24(19-11-9-8-10-12-19)32-26(36)23(18(2)3)33-28(38)40-29(4,5)6/h8-14,18,20-21,23-24H,7,15-17H2,1-6H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)/b14-13+/t20-,21?,23-,24-/m0/s1
Synonyms:	(E)-(S)-4-[(S)-2-((S)-2-TERT-BUTOXYCARBONYLAMINO-3-METHYL-BUTYRYLAMINO)-2-PHENYL-ACETYLAMINO]-5-(2-OXO-PYRROLIDIN-3-YL)-PENT-2-ENOIC ACID ETHYL ESTER
Definition date:	2004-08-16
Last modified:	2024-09-27
Identifier:	ethyl (2E,4S)-4-{[(2S)-2-{[N-(tert-butoxycarbonyl)-L-valyl]amino}-2-phenylacetyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate

END

END
Name:	1,6:5,9:8,12:11,16-TETRAANHYDRO-2,3,4,10,13,14-HEXADEOXY-D-GLYCERO-D-ALLO-D-GULO-HEPTADECA-2,13-DIENITOL
Formula:	C17 H24 O7
SMILES:	O2C(C(O)C=CC3OC1C(O)C4OCC=CCC4OC1CC23)CO
InChi:	InChI=1S/C17H24O7/c18-8-14-9(19)4-5-10-12(23-14)7-13-17(24-10)15(20)16-11(22-13)3-1-2-6-21-16/h1-2,4-5,9-20H,3,6-8H2/t9-,10+,11-,12-,13+,14+,15+,16-,17+/m0/s1
Definition date:	2007-10-03
Last modified:	2024-09-27
Identifier:	1,6:5,9:8,12:11,16-tetraanhydro-2,3,4,10,13,14-hexadeoxy-D-glycero-D-allo-D-gulo-heptadeca-2,13-dienitol

ENJ

ENJ
Name:	(4S)-5-methanethioyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-4-sulfo-1,4-dihydropyridine-3-carbothioic S-acid
Formula:	C12 H16 N O11 P S3
SMILES:	O=C(C1=CN(C=C(C=S)C1S(=O)(=O)O)C2OC(C(C2O)O)COP(O)(O)=O)S
InChi:	InChI=1S/C12H16NO11PS3/c14-8-7(3-23-25(17,18)19)24-11(9(8)15)13-1-5(4-26)10(28(20,21)22)6(2-13)12(16)27/h1-2,4,7-11,14-15H,3H2,(H,16,27)(H2,17,18,19)(H,20,21,22)/t7-,8-,9-,10-,11-/m1/s1
Definition date:	2018-01-23
Last modified:	2024-09-27
Release date:	2018-03-14
Identifier:	(4S)-5-methanethioyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-4-sulfo-1,4-dihydropyridine-3-carbothioic S-acid

ENO

ENO
Name:	3-(4-HYDROXY-PHENYL)PYRUVIC ACID
Formula:	C9 H8 O4
SMILES:	O=C(O)C(=O)Cc1ccc(O)cc1
InChi:	InChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,10H,5H2,(H,12,13)
Synonyms:	HPP
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	3-(4-hydroxyphenyl)-2-oxopropanoic acid

G9B

G9B
Name:	N-[3-(2-{3-amino-6-[1-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyrazin-2-yl}-1H-benzimidazol-1-yl)phenyl]propanamide
Formula:	C29 H31 N9 O
SMILES:	O=C(Nc1cccc(c1)n2c6ccccc6nc2c5nc(c3cn(nc3)C4CCN(C)CC4)cnc5N)CC
InChi:	InChI=1S/C29H31N9O/c1-3-26(39)33-20-7-6-8-22(15-20)38-25-10-5-4-9-23(25)35-29(38)27-28(30)31-17-24(34-27)19-16-32-37(18-19)21-11-13-36(2)14-12-21/h4-10,15-18,21H,3,11-14H2,1-2H3,(H2,30,31)(H,33,39)
Definition date:	2014-09-16
Last modified:	2024-09-27
Release date:	2016-01-13
Identifier:	N-[3-(2-{3-amino-6-[1-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyrazin-2-yl}-1H-benzimidazol-1-yl)phenyl]propanamide

G9S

G9S
Name:	S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] hexadecanethioate
Formula:	C27 H53 N2 O8 P S
SMILES:	C(NC(CCNC(C(C(C)(COP(O)(=O)O)C)O)=O)=O)CSC(CCCCCCCCCCCCCCC)=O
InChi:	InChI=1S/C27H53N2O8PS/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(31)39-21-20-28-23(30)18-19-29-26(33)25(32)27(2,3)22-37-38(34,35)36/h25,32H,4-22H2,1-3H3,(H,28,30)(H,29,33)(H2,34,35,36)/t25-/m1/s1
Definition date:	2018-05-16
Last modified:	2024-09-27
Release date:	2019-04-03
Identifier:	S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] hexadecanethioate

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