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KUS

KUS
Name:	(Z)-N-(4-chlorophenyl)-4-oxidanylidene-but-2-enamide
Formula:	C10 H8 Cl N O2
SMILES:	Clc1ccc(NC(=O)C=CC=O)cc1
InChi:	InChI=1S/C10H8ClNO2/c11-8-3-5-9(6-4-8)12-10(14)2-1-7-13/h1-7H,(H,12,14)/b2-1-
Synonyms:	N1-(4-chlorophenyl)-2-butenediamide (reacted form of)
Definition date:	2022-06-07
Last modified:	2024-09-27
Release date:	2023-06-14
Identifier:	(~{Z})-~{N}-(4-chlorophenyl)-4-oxidanylidene-but-2-enamide

KUT

KUT
Name:	KUT [2-(2-[2-(2-[2-(Octadecandioyl-gamma-Glu)amino]ethoxy)ethoxy]acetylamino)ethoxy]ethoxy)acetyl]
Formula:	C35 H63 N3 O12
SMILES:	OC(=O)CCCCCCCCCCCCCCCCC(=O)N[CH](CCC(=O)NCCOCCOCC(=O)NCCOCCOCC=O)C(O)=O
InChi:	InChI=1S/C35H63N3O12/c39-21-24-49-26-25-47-23-20-37-33(42)29-50-28-27-48-22-19-36-31(40)18-17-30(35(45)46)38-32(41)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-34(43)44/h21,30H,1-20,22-29H2,(H,36,40)(H,37,42)(H,38,41)(H,43,44)(H,45,46)/t30-/m0/s1
Definition date:	2019-06-28
Last modified:	2024-09-27
Release date:	2020-07-15
Identifier:	18-[[(2~{S})-1-oxidanyl-1,5-bis(oxidanylidene)-5-[2-[2-[2-oxidanylidene-2-[2-[2-(2-oxidanylideneethoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]pentan-2-yl]amino]-18-oxidanylidene-octadecanoic acid

HLU

HLU
Name:	BETA-HYDROXYLEUCINE
Formula:	C6 H13 N O3
SMILES:	O=C(O)C(N)C(O)C(C)C
InChi:	InChI=1S/C6H13NO3/c1-3(2)5(8)4(7)6(9)10/h3-5,8H,7H2,1-2H3,(H,9,10)/t4-,5-/m0/s1
Definition date:	2004-02-02
Last modified:	2024-09-27
Identifier:	(2S,3S)-2-amino-3-hydroxy-4-methylpentanoic acid (non-preferred name)

HLX

HLX
Name:	5-methyl-L-norleucine
Formula:	C7 H15 N O2
SMILES:	O=C(O)C(N)CCC(C)C
InChi:	InChI=1S/C7H15NO2/c1-5(2)3-4-6(8)7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)/t6-/m0/s1
Definition date:	2013-03-28
Last modified:	2024-09-27
Release date:	2013-06-12
Identifier:	5-methyl-L-norleucine

HM3

HM3
Name:	(4-chloropyridin-2-yl)methanol
Formula:	C6 H6 Cl N O
SMILES:	Clc1ccnc(c1)CO
InChi:	InChI=1S/C6H6ClNO/c7-5-1-2-8-6(3-5)4-9/h1-3,9H,4H2
Synonyms:	4-chloro-2-hydroxymethylpyridine
Definition date:	2011-04-14
Last modified:	2024-09-27
Identifier:	(4-chloropyridin-2-yl)methanol

HM7

HM7
Name:	3-methylthioethane-pyrazinedione
Formula:	C8 H10 N2 O3 S2
SMILES:	O=C1N=C(O)C(=NC1=C(/S)O)CCSC
InChi:	InChI=1S/C8H10N2O3S2/c1-15-3-2-4-6(11)10-7(12)5(9-4)8(13)14/h13-14H,2-3H2,1H3,(H,10,11,12)/b8-5-
Definition date:	2011-04-18
Last modified:	2024-09-27
Identifier:	(3Z)-6-hydroxy-3-[hydroxy(sulfanyl)methylidene]-5-[2-(methylsulfanyl)ethyl]pyrazin-2(3H)-one

HM8

HM8
Name:	2-[(1S,2R)-1-amino-2-(sulfooxy)propyl]-5-hydroxy-1,3-oxazole-4-carbothioic O-acid
Formula:	C7 H10 N2 O7 S2
SMILES:	S=C(O)c1nc(oc1O)C(N)C(OS(=O)(=O)O)C
InChi:	InChI=1S/C7H10N2O7S2/c1-2(16-18(12,13)14)3(8)5-9-4(7(11)17)6(10)15-5/h2-3,10H,8H2,1H3,(H,11,17)(H,12,13,14)/t2-,3+/m1/s1
Definition date:	2011-04-18
Last modified:	2024-09-27
Identifier:	2-[(1S,2R)-1-amino-2-(sulfooxy)propyl]-5-hydroxy-1,3-oxazole-4-carbothioic O-acid

HM9

HM9
Name:	6-(3-CARBAMIMIDAMIDOPROPYL)-3,5-DIHYDROXYPYRAZINE-2-CARBOTHIOIC S-ACID
Formula:	C9 H13 N5 O3 S
SMILES:	O=C(S)c1nc(c(O)nc1O)CCCNC(=[N@H])N
InChi:	InChI=1S/C9H13N5O3S/c10-9(11)12-3-1-2-4-6(15)14-7(16)5(13-4)8(17)18/h1-3H2,(H,17,18)(H4,10,11,12)(H2,14,15,16)
Definition date:	2011-04-18
Last modified:	2024-09-27
Identifier:	6-(3-carbamimidamidopropyl)-3,5-dihydroxypyrazine-2-carbothioic S-acid

HMB

HMB
Name:	(4S)-4-hydroxy-4-methoxybutanoic acid
Formula:	C5 H10 O4
SMILES:	O=C(O)CCC(O)OC
InChi:	InChI=1S/C5H10O4/c1-9-5(8)3-2-4(6)7/h5,8H,2-3H2,1H3,(H,6,7)/t5-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(4S)-4-hydroxy-4-methoxybutanoic acid

HMF

HMF
Name:	2-AMINO-4-PHENYL-BUTYRIC ACID
Formula:	C10 H13 N O2
SMILES:	O=C(O)C(N)CCc1ccccc1
InChi:	InChI=1S/C10H13NO2/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m1/s1
Synonyms:	D-BETA-HOMOPHENYLALANINE
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(2R)-2-amino-4-phenylbutanoic acid

HMG

HMG
Name:	3-HYDROXY-3-METHYLGLUTARYL-COENZYME A
Formula:	C27 H39 N7 O20 P3 S
SMILES:	[O-]C(=O)CC(O)(C)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP([O-])([O-])=O
InChi:	InChI=1S/C27H44N7O20P3S/c1-26(2,21(40)24(41)30-5-4-15(35)29-6-7-58-17(38)9-27(3,42)8-16(36)37)11-51-57(48,49)54-56(46,47)50-10-14-20(53-55(43,44)45)19(39)25(52-14)34-13-33-18-22(28)31-12-32-23(18)34/h12-14,19-21,25,39-40,42H,4-11H2,1-3H3,(H,29,35)(H,30,41)(H,36,37)(H,46,47)(H,48,49)(H2,28,31,32)(H2,43,44,45)/p-5/t14-,19-,20-,21+,25-,27+/m1/s1
Synonyms:	(S)-HMG-COA
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(9R,21S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonatooxy)tetrahydrofuran-2-yl]-9,21-dihydroxy-8,8,21-trimethyl-3,5-dioxido-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oate 3,5-dioxide (non-preferred name)

HMR

HMR
Name:	BETA-HOMOARGININE
Formula:	C7 H16 N4 O2
SMILES:	O=C(O)CC(N)CCCNC(=[N@H])N
InChi:	InChI=1S/C7H16N4O2/c8-5(4-6(12)13)2-1-3-11-7(9)10/h5H,1-4,8H2,(H,12,13)(H4,9,10,11)/t5-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(3S)-3-amino-6-carbamimidamidohexanoic acid

HMY

HMY
Name:	(1aR,8S,13S,14S,15aR)-5,13,14-trihydroxy-3-methoxy-8-methyl-8,9,13,14,15,15a-hexahydro-6H-oxireno[k][2]benzoxacyclotetradecine-6,12(1aH)-dione
Formula:	C19 H22 O8
SMILES:	O=C3C=CCC(OC(=O)c1c(cc(OC)cc1O)C2OC2CC(O)C3O)C
InChi:	InChI=1S/C19H22O8/c1-9-4-3-5-12(20)17(23)14(22)8-15-18(27-15)11-6-10(25-2)7-13(21)16(11)19(24)26-9/h3,5-7,9,14-15,17-18,21-23H,4,8H2,1-2H3/t9-,14-,15+,17+,18+/m0/s1
Synonyms:	Hypothemycin
Definition date:	2008-02-19
Last modified:	2024-09-27
Identifier:	(1aR,8S,10Z,13S,14S,15aR)-5,13,14-trihydroxy-3-methoxy-8-methyl-8,9,13,14,15,15a-hexahydro-6H-oxireno[k][2]benzoxacyclotetradecine-6,12(1aH)-dione

HNC

HNC
Name:	S-[(1S,2R)-2-hydroxy-1-(2-oxoethyl)heptyl]-L-cysteine
Formula:	C12 H23 N O4 S
SMILES:	O=C(O)C(N)CSC(C(O)CCCCC)CC=O
InChi:	InChI=1S/C12H23NO4S/c1-2-3-4-5-10(15)11(6-7-14)18-8-9(13)12(16)17/h7,9-11,15H,2-6,8,13H2,1H3,(H,16,17)/t9-,10+,11-/m0/s1
Synonyms:	Cysteine covalently modified with 4-hydroxy-2-nonenal
Definition date:	2009-09-17
Last modified:	2024-09-27
Identifier:	S-[(3S,4R)-4-hydroxy-1-oxononan-3-yl]-L-cysteine

KWS

KWS
Name:	{2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-methylidene-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
Formula:	C9 H13 N3 O4
SMILES:	O=C1C(N=C(N1CC(=O)O)C(N)C(O)C)=C
InChi:	InChI=1S/C9H13N3O4/c1-4-9(16)12(3-6(14)15)8(11-4)7(10)5(2)13/h5,7,13H,1,3,10H2,2H3,(H,14,15)/t5-,7+/m1/s1
Synonyms:	PEPTIDE DERIVED CHROMOPHORE
Definition date:	2011-11-18
Last modified:	2024-09-27
Identifier:	{2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-methylidene-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid

KWT

KWT
Name:	(1S,6BR,9AS,11R,11BR)-9A,11B-DIMETHYL-1-[(METHYLOXY)METHYL]-3,6,9-TRIOXO-1,6,6B,7,8,9,9A,10,11,11B-DECAHYDRO-3H-FURO[4, 3,2-DE]INDENO[4,5-H][2]BENZOPYRAN-11-YL ACETATE
Formula:	C23 H24 O8
SMILES:	O=C3c2occ1C(=O)OC(C(c12)(C5=C3C4C(C(=O)CC4)(C)CC5OC(=O)C)C)COC
InChi:	InChI=1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3/t12-,13+,15+,22-,23-/m0/s1
Synonyms:	[1S-(1A,6BA,9AB,11A,11BB)]-11-(ACETYLOXY)-1,6B,7,8,9A,10,11,11B-OCTAHYDRO-1-(METHOXYMETHLY) -9A,11B-DIMETHYL-3H-FURO[4,3,2-DE]INDENL[4,5-H]-2-BENZOPYRAN-3,6,9,TRIONE
Definition date:	2000-09-11
Last modified:	2024-09-27
Identifier:	(1S,6bR,9aS,11R,11bR)-1-(methoxymethyl)-9a,11b-dimethyl-3,6,9-trioxo-1,6,6b,7,8,9,9a,10,11,11b-decahydro-3H-furo[4,3,2-de]indeno[4,5-h]isochromen-11-yl acetate

HNE

HNE
Name:	(2E,4R)-4-HYDROXYNON-2-ENAL
Formula:	C9 H16 O2
SMILES:	O=C/C=C/C(O)CCCCC
InChi:	InChI=1S/C9H16O2/c1-2-3-4-6-9(11)7-5-8-10/h5,7-9,11H,2-4,6H2,1H3/b7-5+/t9-/m1/s1
Definition date:	2006-08-22
Last modified:	2024-09-27
Identifier:	(2E,4R)-4-hydroxynon-2-enal

KWZ

KWZ
Name:	4-(3-piperidin-1-ylpropyl)-6-[3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile
Formula:	C20 H21 F3 N4
SMILES:	FC(F)(F)c1cccc(c1)c2cc(CCCN3CCCCC3)nc(n2)C#N
InChi:	InChI=1S/C20H21F3N4/c21-20(22,23)16-7-4-6-15(12-16)18-13-17(25-19(14-24)26-18)8-5-11-27-9-2-1-3-10-27/h4,6-7,12-13H,1-3,5,8-11H2
Definition date:	2009-12-09
Last modified:	2024-09-27
Identifier:	4-(3-piperidin-1-ylpropyl)-6-[3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile

HNO

HNO
Name:	N-tert-butyl-6,7-bis(chloranyl)quinoxalin-2-amine
Formula:	C12 H13 Cl2 N3
SMILES:	CC(C)(C)Nc1cnc2cc(Cl)c(Cl)cc2n1
InChi:	InChI=1S/C12H13Cl2N3/c1-12(2,3)17-11-6-15-9-4-7(13)8(14)5-10(9)16-11/h4-6H,1-3H3,(H,16,17)
Definition date:	2021-01-20
Last modified:	2024-09-27
Release date:	2021-07-07
Identifier:	~{N}-~{tert}-butyl-6,7-bis(chloranyl)quinoxalin-2-amine

KXL

KXL
Name:	(2S)-N-[(2S)-1-(dimethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-2-oxidanyl-N'-(2-pyridin-2-ylethyl)butanediamide
Formula:	C22 H28 N4 O4
SMILES:	CN(C)C(=O)[CH](Cc1ccccc1)NC(=O)[CH](O)CC(=O)NCCc2ccccn2
InChi:	InChI=1S/C22H28N4O4/c1-26(2)22(30)18(14-16-8-4-3-5-9-16)25-21(29)19(27)15-20(28)24-13-11-17-10-6-7-12-23-17/h3-10,12,18-19,27H,11,13-15H2,1-2H3,(H,24,28)(H,25,29)/t18-,19-/m0/s1
Definition date:	2022-06-07
Last modified:	2024-09-27
Release date:	2023-11-29
Identifier:	(2~{S})-~{N}-[(2~{S})-1-(dimethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-2-oxidanyl-~{N}'-(2-pyridin-2-ylethyl)butanediamide

HOA

HOA
Name:	HYDROXYAMINE
Formula:	H3 N O
SMILES:	ON
InChi:	InChI=1S/H3NO/c1-2/h2H,1H2
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	hydroxylamine

KXV

KXV
Name:	{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}ac etic acid
Formula:	C15 H17 N3 O5 S
SMILES:	NC(CS)C=1N(CC(=O)O)C(=O)C(N=1)=[C@H]c2ccc(c(c2)OC)O
InChi:	InChI=1S/C15H17N3O5S/c1-23-12-5-8(2-3-11(12)19)4-10-15(22)18(6-13(20)21)14(17-10)9(16)7-24/h2-5,9,19,24H,6-7,16H2,1H3,(H,20,21)/b10-4-/t9-/m0/s1
Synonyms:	CHROMOPHORE (CYS-TYR-GLY)-3-OMeY
Definition date:	2019-01-23
Last modified:	2024-09-27
Release date:	2019-06-12
Identifier:	{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid

KY4

KY4
Name:	{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(2,3-difluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
Formula:	C14 H13 F2 N3 O4 S
SMILES:	NC(CS)C1=N/C(C(N1CC(O)=O)=O)=Cc2c(F)c(F)c(cc2)O
InChi:	InChI=1S/C14H13F2N3O4S/c15-11-6(1-2-9(20)12(11)16)3-8-14(23)19(4-10(21)22)13(18-8)7(17)5-24/h1-3,7,20,24H,4-5,17H2,(H,21,22)/b8-3-/t7-/m0/s1
Synonyms:	CHROMOPHORE (CYS-TYR-GLY)-2,3-F
Definition date:	2019-01-23
Last modified:	2024-09-27
Release date:	2019-06-12
Identifier:	{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(2,3-difluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid

HOM

HOM
Name:	7-HYDROXY-4-METHYL-3-(2-HYDROXY-ETHYL)COUMARIN
Formula:	C12 H12 O4
SMILES:	O=C2Oc1cc(O)ccc1C(=C2CCO)C
InChi:	InChI=1S/C12H12O4/c1-7-9-3-2-8(14)6-11(9)16-12(15)10(7)4-5-13/h2-3,6,13-14H,4-5H2,1H3
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	7-hydroxy-3-(2-hydroxyethyl)-4-methyl-2H-chromen-2-one

HOO

HOO
Name:	(2~{S})-2-azanyl-3-[2,5-bis(oxidanylidene)imidazol-4-yl]propanoic acid
Formula:	C6 H7 N3 O4
SMILES:	N[CH](CC1=NC(=O)NC1=O)C(O)=O
InChi:	InChI=1S/C6H7N3O4/c7-2(5(11)12)1-3-4(10)9-6(13)8-3/h2H,1,7H2,(H,11,12)(H,9,10,13)/t2-/m0/s1
Definition date:	2018-06-07
Last modified:	2024-09-27
Release date:	2019-02-27
Identifier:	(2~{S})-2-azanyl-3-[2,5-bis(oxidanylidene)imidazol-4-yl]propanoic acid

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