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3QN

3QN
Name:	(E)-N~6~-{2-hydroxy-3-methyl-6-[(phosphonooxy)methyl]benzylidene}-L-lysine
Formula:	C15 H23 N2 O7 P
SMILES:	O=C(O)C(N)CCCC/N=C/c1c(ccc(c1O)C)COP(=O)(O)O
InChi:	InChI=1S/C15H23N2O7P/c1-10-5-6-11(9-24-25(21,22)23)12(14(10)18)8-17-7-3-2-4-13(16)15(19)20/h5-6,8,13,18H,2-4,7,9,16H2,1H3,(H,19,20)(H2,21,22,23)/b17-8+/t13-/m0/s1
Definition date:	2011-02-09
Last modified:	2023-11-03
Identifier:	(E)-N~6~-{2-hydroxy-3-methyl-6-[(phosphonooxy)methyl]benzylidene}-L-lysine

7R0

7R0
Name:	2-[(4E)-2-[(1S)-1-azanyl-2-(1H-imidazol-4-yl)ethyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid
Formula:	C17 H17 N5 O4
SMILES:	N[CH](Cc1c[nH]cn1)C2=NC(=Cc3ccc(O)cc3)C(=O)N2CC(O)=O
InChi:	InChI=1S/C17H17N5O4/c18-13(6-11-7-19-9-20-11)16-21-14(17(26)22(16)8-15(24)25)5-10-1-3-12(23)4-2-10/h1-5,7,9,13,23H,6,8,18H2,(H,19,20)(H,24,25)/b14-5+/t13-/m0/s1
Synonyms:	CHROMOPHORE (HIS-TYR-GLY)
Definition date:	2021-08-21
Last modified:	2023-11-03
Release date:	2021-09-01
Identifier:	2-[(4~{E})-2-[(1~{S})-1-azanyl-2-(1~{H}-imidazol-4-yl)ethyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid

7R6

7R6
Name:	2-[(4E)-4-[(4-hydroxyphenyl)methylidene]-2-[(E)-2-(1H-imidazol-4-yl)ethenyl]-5-oxidanylidene-imidazol-1-yl]ethanoic acid
Formula:	C17 H14 N4 O4
SMILES:	OC(=O)CN1C(=O)C(=Cc2ccc(O)cc2)N=C1C=Cc3c[nH]cn3
InChi:	InChI=1S/C17H14N4O4/c22-13-4-1-11(2-5-13)7-14-17(25)21(9-16(23)24)15(20-14)6-3-12-8-18-10-19-12/h1-8,10,22H,9H2,(H,18,19)(H,23,24)/b6-3+,14-7+
Synonyms:	RED CHROMOPHORE (HIS, TYR, GLY)
Definition date:	2021-08-21
Last modified:	2023-11-03
Release date:	2021-09-01
Identifier:	2-[(4~{E})-4-[(4-hydroxyphenyl)methylidene]-2-[(~{E})-2-(1~{H}-imidazol-4-yl)ethenyl]-5-oxidanylidene-imidazol-1-yl]ethanoic acid

74P

74P
Name:	(E)-N~6~-(1-carboxy-3-oxobutylidene)-L-lysine
Formula:	C11 H18 N2 O5
SMILES:	C(C/C(=NCCCCC(N)C(O)=O)C(=O)O)(C)=O
InChi:	InChI=1S/C11H18N2O5/c1-7(14)6-9(11(17)18)13-5-3-2-4-8(12)10(15)16/h8H,2-6,12H2,1H3,(H,15,16)(H,17,18)/b13-9+/t8-/m0/s1
Definition date:	2016-08-24
Last modified:	2023-11-03
Release date:	2016-10-05
Identifier:	(E)-N~6~-(1-carboxy-3-oxobutylidene)-L-lysine

C1X

C1X
Name:	(Z)-N~6~-[(4R,5S)-5-(2-CARBOXYETHYL)-4-(CARBOXYMETHYL)DIHYDRO-2H-THIOPYRAN-3(4H)-YLIDENE]-L-LYSINE
Formula:	C16 H26 N2 O6 S
SMILES:	O=C(O)C(N)CCCC/N=C1/CSCC(CCC(=O)O)C1CC(=O)O
InChi:	InChI=1S/C16H26N2O6S/c17-12(16(23)24)3-1-2-6-18-13-9-25-8-10(4-5-14(19)20)11(13)7-15(21)22/h10-12H,1-9,17H2,(H,19,20)(H,21,22)(H,23,24)/b18-13-/t10-,11-,12+/m1/s1
Synonyms:	2-AMINO-6-[5-(2-CARBOXY-ETHYL)-4-CARBOXYMETHYL-DIHYDRO-THIOPYRAN-3-YLIDENEAMINO]-HEXANOIC ACID
Definition date:	2005-09-11
Last modified:	2023-11-03
Identifier:	(E)-N~6~-[(4R,5S)-5-(2-carboxyethyl)-4-(carboxymethyl)dihydro-2H-thiopyran-3(4H)-ylidene]-L-lysine

3A5

3A5
Name:	(2Z,4S)-3-AZA-5-CARBOXYL-2-METHYL-4(METHYLCARBOXY)PENT-2-ENOYL
Formula:	C8 H11 N O6
SMILES:	O=C(OC)C(/N=C(/C(=O)O)C)CC(=O)O
InChi:	InChI=1S/C8H11NO6/c1-4(7(12)13)9-5(3-6(10)11)8(14)15-2/h5H,3H2,1-2H3,(H,10,11)(H,12,13)/b9-4+/t5-/m0/s1
Definition date:	2012-03-28
Last modified:	2023-11-03
Release date:	2012-10-26
Identifier:	(3S)-3-[(E)-(1-carboxyethylidene)amino]-4-methoxy-4-oxobutanoic acid (non-preferred name)

9BB

9BB
Name:	trans-4-({[(E)-1-amino-2-sulfanylethenyl]carbamoyl}oxy)cyclohexanecarboxylic acid
Formula:	C10 H16 N2 O4 S
SMILES:	O=C(OC1CCC(C(=O)O)CC1)NC(=CS)N
InChi:	InChI=1S/C10H16N2O4S/c11-8(5-17)12-10(15)16-7-3-1-6(2-4-7)9(13)14/h5-7,17H,1-4,11H2,(H,12,15)(H,13,14)/b8-5+/t6-,7-
Definition date:	2012-01-04
Last modified:	2023-11-03
Identifier:	trans-4-({[(E)-1-amino-2-sulfanylethenyl]carbamoyl}oxy)cyclohexanecarboxylic acid

9KP

9KP
Name:	(E)-N~6~-[(2E)-1-carboxy-3-(2-carboxyphenyl)prop-2-en-1-ylidene]-L-lysine
Formula:	C17 H20 N2 O6
SMILES:	C(/C(=O)O)(=NCCCCC(N)C(=O)O)C=Cc1c(C(O)=O)cccc1
InChi:	InChI=1S/C17H20N2O6/c18-13(16(22)23)7-3-4-10-19-14(17(24)25)9-8-11-5-1-2-6-12(11)15(20)21/h1-2,5-6,8-9,13H,3-4,7,10,18H2,(H,20,21)(H,22,23)(H,24,25)/b9-8+,19-14+/t13-/m0/s1
Definition date:	2017-05-18
Last modified:	2023-11-03
Release date:	2019-04-10
Identifier:	(E)-N~6~-[(2E)-1-carboxy-3-(2-carboxyphenyl)prop-2-en-1-ylidene]-L-lysine

28K

28K
Name:	(2E)-3-{(2S)-2-[(1R)-1-hydroxyethyl]oxiran-2-yl}prop-2-enoic acid
Formula:	C7 H10 O4
SMILES:	O=C(O)C=CC1(OC1)C(O)C
InChi:	InChI=1S/C7H10O4/c1-5(8)7(4-11-7)3-2-6(9)10/h2-3,5,8H,4H2,1H3,(H,9,10)/b3-2+/t5?,7-/m0/s1
Definition date:	2013-09-10
Last modified:	2023-11-03
Release date:	2014-05-21
Identifier:	(2E)-3-{(2S)-2-[(1R)-1-hydroxyethyl]oxiran-2-yl}prop-2-enoic acid

BMT

BMT
Name:	4-METHYL-4-[(E)-2-BUTENYL]-4,N-METHYL-THREONINE
Formula:	C10 H19 N O3
SMILES:	O=C(O)C(NC)C(O)C(C/C=C/C)C
InChi:	InChI=1S/C10H19NO3/c1-4-5-6-7(2)9(12)8(11-3)10(13)14/h4-5,7-9,11-12H,6H2,1-3H3,(H,13,14)/b5-4+/t7-,8+,9-/m1/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	4-[(2E)-but-2-en-1-yl]-2,4,5-trideoxy-2-(methylamino)-L-xylonic acid

BOR

BOR
Name:	(1R)-1-AMINO-4-{[(E)-AMINO(IMINO)METHYL]AMINO}BUTYLBORONIC ACID
Formula:	C5 H15 B N4 O2
SMILES:	OB(O)C(N)CCCNC(=[N@H])N
InChi:	InChI=1S/C5H15BN4O2/c7-4(6(11)12)2-1-3-10-5(8)9/h4,11-12H,1-3,7H2,(H4,8,9,10)/t4-/m0/s1
Synonyms:	BORO ARGININE
Definition date:	2003-03-24
Last modified:	2023-11-03
Identifier:	[(1R)-1-amino-4-carbamimidamidobutyl]boronic acid

F7V

F7V
Name:	(2S,4E)-2-aminohex-4-enoic acid
Formula:	C6 H11 N O2
SMILES:	NC(C(O)=O)CC=CC
InChi:	InChI=1S/C6H11NO2/c1-2-3-4-5(7)6(8)9/h2-3,5H,4,7H2,1H3,(H,8,9)/b3-2+/t5-/m0/s1
Definition date:	2018-03-09
Last modified:	2023-11-03
Release date:	2019-06-05
Identifier:	(2S,4E)-2-aminohex-4-enoic acid

FBE

FBE
Name:	(3E)-5-aminopent-3-enoic acid
Formula:	C5 H9 N O2
SMILES:	O=C(O)C/C=C/CN
InChi:	InChI=1S/C5H9NO2/c6-4-2-1-3-5(7)8/h1-2H,3-4,6H2,(H,7,8)/b2-1+
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	(3E)-5-aminopent-3-enoic acid

FF9

FF9
Name:	(2S)-2-azanyl-6-[(E)-(1-oxidanyl-1-oxidanylidene-butan-2-ylidene)amino]hexanoic acid
Formula:	C10 H18 N2 O4
SMILES:	CCC(=NCCCC[CH](N)C(O)=O)C(O)=O
InChi:	InChI=1S/C10H18N2O4/c1-2-8(10(15)16)12-6-4-3-5-7(11)9(13)14/h7H,2-6,11H2,1H3,(H,13,14)(H,15,16)/b12-8+/t7-/m0/s1
Definition date:	2020-05-08
Last modified:	2023-11-03
Release date:	2020-08-05
Identifier:	(2~{S})-2-azanyl-6-[(~{E})-(1-oxidanyl-1-oxidanylidene-butan-2-ylidene)amino]hexanoic acid

FHL

FHL
Name:	(E)-N~6~-[3-CARBOXY-1-(HYDROXYMETHYL)PROPYLIDENE]-L-LYSINE
Formula:	C11 H20 N2 O5
SMILES:	O=C(O)C(N)CCCC/N=C(/CO)CCC(=O)O
InChi:	InChI=1S/C11H20N2O5/c12-9(11(17)18)3-1-2-6-13-8(7-14)4-5-10(15)16/h9,14H,1-7,12H2,(H,15,16)(H,17,18)/b13-8+/t9-/m0/s1
Synonyms:	2-AMINO-6-(3-CARBOXY-1-HYDROXYMETHYL-PROPYLIDENEAMINO)-HEXANOIC ACID
Definition date:	2005-09-11
Last modified:	2023-11-03
Identifier:	(E)-N~6~-[3-carboxy-1-(hydroxymethyl)propylidene]-L-lysine

CYJ

CYJ
Name:	(Z)-N~6~-[(4R,5S)-5-(2-CARBOXYETHYL)-4-(CARBOXYMETHYL)PIPERIDIN-3-YLIDENE]-L-LYSINE
Formula:	C16 H27 N3 O6
SMILES:	O=C(O)C(N)CCCC/N=C1/CNCC(CCC(=O)O)C1CC(=O)O
InChi:	InChI=1S/C16H27N3O6/c17-12(16(24)25)3-1-2-6-19-13-9-18-8-10(4-5-14(20)21)11(13)7-15(22)23/h10-12,18H,1-9,17H2,(H,20,21)(H,22,23)(H,24,25)/b19-13-/t10-,11-,12+/m1/s1
Synonyms:	2-AMINO-6-(3-CARBOXY-1-[(4-CARBOXY-2-OXO-BUTYLAMINO)-METHYL]-PROPYLIDENEAMINO)-HEXANOIC ACID
Definition date:	2005-09-11
Last modified:	2023-11-03
Identifier:	(E)-N~6~-[(4R,5S)-5-(2-carboxyethyl)-4-(carboxymethyl)piperidin-3-ylidene]-L-lysine

DMT

DMT
Name:	3-HYDROXY-4,4-DIMETHYL-2-(METHYLAMINO)-6-OCTENOIC ACID
Formula:	C11 H21 N O3
SMILES:	O=C(O)C(NC)C(O)C(C/C=C/C)(C)C
InChi:	InChI=1S/C11H21NO3/c1-5-6-7-11(2,3)9(13)8(12-4)10(14)15/h5-6,8-9,12-13H,7H2,1-4H3,(H,14,15)/b6-5+/t8-,9-/m0/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	4-[(2E)-but-2-en-1-yl]-2,4,5-trideoxy-4-methyl-2-(methylamino)-D-arabinonic acid

2R1

2R1
Name:	(2E)-2-amino-4-hydroxy-3-[(2R)-oxiran-2-yl]but-2-enoic acid
Formula:	C6 H9 N O4
SMILES:	O=C(O)/C(N)=C(/CO)C1OC1
InChi:	InChI=1S/C6H9NO4/c7-5(6(9)10)3(1-8)4-2-11-4/h4,8H,1-2,7H2,(H,9,10)/b5-3+/t4-/m0/s1
Definition date:	2014-01-10
Last modified:	2023-11-03
Release date:	2014-04-02
Identifier:	(2E)-2-amino-4-hydroxy-3-[(2R)-oxiran-2-yl]but-2-enoic acid

FUM

FUM
Name:	FUMARIC ACID
Formula:	C4 H4 O4
SMILES:	O=C(O)C=CC(=O)O
InChi:	InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	(2E)-but-2-enedioic acid

I2F

I2F
Name:	(2~{S},4~{R},5~{E})-5-[(5~{S})-5-azanyl-6-oxidanyl-hexyl]iminohexane-1,2,4-triol
Formula:	C12 H26 N2 O5
SMILES:	CC(=NCCCC[CH](N)C(O)O)[CH](O)C[CH](O)CO
InChi:	InChI=1S/C12H26N2O5/c1-8(11(17)6-9(16)7-15)14-5-3-2-4-10(13)12(18)19/h9-12,15-19H,2-7,13H2,1H3/b14-8+/t9-,10-,11+/m0/s1
Definition date:	2022-02-08
Last modified:	2023-11-03
Release date:	2023-02-08
Identifier:	(2~{S},4~{R},5~{E})-5-[(5~{S})-5-azanyl-6,6-bis(oxidanyl)hexyl]iminohexane-1,2,4-triol

IEY

IEY
Name:	{5-hydroxy-4-(4-hydroxybenzyl)-2-[(E)-2-(1H-imidazol-4-yl)ethenyl]-1H-imidazol-1-yl}acetic acid
Formula:	C17 H16 N4 O4
SMILES:	O=C(O)Cn2c(O)c(nc2C=Cc1ncnc1)Cc3ccc(O)cc3
InChi:	InChI=1S/C17H16N4O4/c22-13-4-1-11(2-5-13)7-14-17(25)21(9-16(23)24)15(20-14)6-3-12-8-18-10-19-12/h1-6,8,10,14,22H,7,9H2,(H,18,19)(H,23,24)/b6-3+/t14-/m0/s1
Synonyms:	CHROMOPHORE (HIS-TYR-GLY)
Definition date:	2005-06-01
Last modified:	2023-11-03
Identifier:	{5-hydroxy-4-(4-hydroxybenzyl)-2-[(E)-2-(1H-imidazol-4-yl)ethenyl]-1H-imidazol-1-yl}acetic acid

AUX

AUX
Name:	4-METHYL-4-[8-QUINOLINIUM-4-ENE]-4,N-METHYL-THREONINE
Formula:	C21 H29 N2 O3
SMILES:	CN[CH]([CH](O)[CH](C)CC=CCCC[n+]1cccc2ccccc12)C(O)=O
InChi:	InChI=1S/C21H28N2O3/c1-16(20(24)19(22-2)21(25)26)10-5-3-4-8-14-23-15-9-12-17-11-6-7-13-18(17)23/h3,5-7,9,11-13,15-16,19-20,22,24H,4,8,10,14H2,1-2H3/p+1/b5-3+/t16-,19+,20-/m1/s1
Definition date:	2015-05-14
Last modified:	2023-11-03
Release date:	2015-12-29
Identifier:	(E,2S,3R,4R)-4-methyl-2-(methylamino)-3-oxidanyl-10-quinolin-1-ium-1-yl-dec-6-enoic acid

JLP

JLP
Name:	(2S)-2-azanyl-6-[E-[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]methylideneamino]hexanoic acid
Formula:	C14 H21 N3 O4
SMILES:	Cc1ncc(CO)c(C=NCCCC[CH](N)C(O)=O)c1O
InChi:	InChI=1S/C14H21N3O4/c1-9-13(19)11(10(8-18)6-17-9)7-16-5-3-2-4-12(15)14(20)21/h6-7,12,18-19H,2-5,8,15H2,1H3,(H,20,21)/b16-7+/t12-/m0/s1
Definition date:	2018-06-03
Last modified:	2023-11-03
Release date:	2019-05-29
Identifier:	(2~{S})-2-azanyl-6-[(~{E})-[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]methylideneamino]hexanoic acid

UGU

UGU
Name:	(Z)-7-[(1R,2R,3R,5S)-3,5-bis(oxidanyl)-2-[(E,3S)-3-oxidanyloct-1-enyl]cyclopentyl]hept-5-enoic acid
Formula:	C20 H34 O5
SMILES:	CCCCC[CH](O)C=C[CH]1[CH](O)C[CH](O)[CH]1CC=CCCCC(O)=O
InChi:	InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1
Synonyms:	Dinoprost
Definition date:	2023-05-30
Last modified:	2023-11-01
Release date:	2023-07-12
Identifier:	(~{Z})-7-[(1~{R},2~{R},3~{R},5~{S})-3,5-bis(oxidanyl)-2-[(~{E},3~{S})-3-oxidanyloct-1-enyl]cyclopentyl]hept-5-enoic acid

QDL

QDL
Name:	Antheraxanthin
Formula:	C40 H56 O3
SMILES:	CC1=C(C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=C[C]23O[C]2(C)C[CH](O)CC3(C)C)C(C)(C)C[CH](O)C1
InChi:	InChI=1S/C40H56O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(42)28-39(40,10)43-40/h11-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40+/m1/s1
Synonyms:	(1~{R},3~{S},6~{S})-1,5,5-trimethyl-6-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-7-oxabicyclo[4.1.0]heptan-3-ol
Definition date:	2022-10-25
Last modified:	2023-10-27
Release date:	2023-11-01
Identifier:	(1~{R},3~{S},6~{S})-1,5,5-trimethyl-6-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-7-oxabicyclo[4.1.0]heptan-3-ol

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