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I1S

I1S
Name:	[(1S)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl]phosphonic acid
Formula:	C16 H18 N O5 P
SMILES:	O=P(O)(O)C(NC(=O)OCc1ccccc1)Cc2ccccc2
InChi:	InChI=1S/C16H18NO5P/c18-16(22-12-14-9-5-2-6-10-14)17-15(23(19,20)21)11-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H,17,18)(H2,19,20,21)/t15-/m0/s1
Definition date:	2011-03-08
Last modified:	2024-09-27
Release date:	2014-01-22
Identifier:	[(1S)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl]phosphonic acid

HAO

HAO
Name:	{[3-(hydrazinocarbonyl)-4-methoxyphenyl]amino}(oxo)acetic acid
Formula:	C10 H11 N3 O5
SMILES:	O=C(O)C(=O)Nc1ccc(OC)c(C(=O)NN)c1
InChi:	InChI=1S/C10H11N3O5/c1-18-7-3-2-5(12-9(15)10(16)17)4-6(7)8(14)13-11/h2-4H,11H2,1H3,(H,12,15)(H,13,14)(H,16,17)
Definition date:	2010-07-01
Last modified:	2024-09-27
Identifier:	{[3-(hydrazinylcarbonyl)-4-methoxyphenyl]amino}(oxo)acetic acid

I1V

I1V
Name:	(2~{R})-2-azanyl-~{N}'-[(2~{S},6~{R})-6,7-bis(azanyl)-1-oxidanyl-7-oxidanylidene-heptan-2-yl]pentanediamide
Formula:	C12 H25 N5 O4
SMILES:	N[CH](CCC[CH](CO)NC(=O)CC[CH](N)C(N)=O)C(N)=O
InChi:	InChI=1S/C12H25N5O4/c13-8(11(15)20)3-1-2-7(6-18)17-10(19)5-4-9(14)12(16)21/h7-9,18H,1-6,13-14H2,(H2,15,20)(H2,16,21)(H,17,19)/t7-,8+,9+/m0/s1
Definition date:	2023-07-25
Last modified:	2024-09-27
Release date:	2024-08-07
Identifier:	(2~{R})-2-azanyl-~{N}'-[(2~{S},6~{R})-6,7-bis(azanyl)-1-oxidanyl-7-oxidanylidene-heptan-2-yl]pentanediamide

I1W

I1W
Name:	(1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxo(1-~2~H)pyrrolidin-3-yl]propan-2-yl}-3-{N-[tert-butyl(~2~H)carbamoyl]-3-methyl-L-(N-~2~H)valyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-(~2~H)carboxamide
Formula:	C33 H48 N6 O5 S
SMILES:	CC(C)(C)N([2H])C(=O)N([2H])C(C(=O)N1CC2C(C1C(=O)N([2H])C(CC1CCN([2H])C1=O)C(O)c1nc3ccccc3s1)C2(C)C)C(C)(C)C
InChi:	InChI=1S/C33H48N6O5S/c1-31(2,3)25(37-30(44)38-32(4,5)6)29(43)39-16-18-22(33(18,7)8)23(39)27(42)35-20(15-17-13-14-34-26(17)41)24(40)28-36-19-11-9-10-12-21(19)45-28/h9-12,17-18,20,22-25,40H,13-16H2,1-8H3,(H,34,41)(H,35,42)(H2,37,38,44)/t17-,18-,20-,22-,23-,24-,25+/m0/s1/i/hD4
Definition date:	2022-01-06
Last modified:	2024-09-27
Release date:	2022-03-02
Identifier:	(1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxo(1-~2~H)pyrrolidin-3-yl]propan-2-yl}-3-{N-[tert-butyl(~2~H)carbamoyl]-3-methyl-L-(N-~2~H)valyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-(~2~H)carboxamide

HAQ

HAQ
Name:	5-AMINO-4-OXO-1,2,4,5,6,7-HEXAHYDRO-AZEPINO[3,2,1-HI]INDOLE-2-CARBOXYLIC ACID
Formula:	C13 H14 N2 O3
SMILES:	O=C(O)C2N3c1c(cccc1C2)CCC(N)C3=O
InChi:	InChI=1S/C13H14N2O3/c14-9-5-4-7-2-1-3-8-6-10(13(17)18)15(11(7)8)12(9)16/h1-3,9-10H,4-6,14H2,(H,17,18)/t9-,10-/m0/s1
Definition date:	1999-10-14
Last modified:	2024-09-27
Identifier:	(2S,5S)-5-amino-4-oxo-1,2,4,5,6,7-hexahydroazepino[3,2,1-hi]indole-2-carboxylic acid

HAR

HAR
Name:	N-OMEGA-HYDROXY-L-ARGININE
Formula:	C6 H14 N4 O3
SMILES:	O=C(O)C(N)CCCNC(=[N@H])NO
InChi:	InChI=1S/C6H14N4O3/c7-4(5(11)12)2-1-3-9-6(8)10-13/h4,13H,1-3,7H2,(H,11,12)(H3,8,9,10)/t4-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	N~5~-(N-hydroxycarbamimidoyl)-L-ornithine

I1Z

I1Z
Name:	(1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
Formula:	C26 H44 N6 O4
SMILES:	CC1(C)C2C(C(=O)NC(C=N)CC3CCNC3=O)N(CC21)C(=O)C(NC(=O)NC(C)(C)C)C(C)(C)C
InChi:	InChI=1S/C26H44N6O4/c1-24(2,3)19(30-23(36)31-25(4,5)6)22(35)32-13-16-17(26(16,7)8)18(32)21(34)29-15(12-27)11-14-9-10-28-20(14)33/h12,14-19,27H,9-11,13H2,1-8H3,(H,28,33)(H,29,34)(H2,30,31,36)/b27-12-/t14-,15-,16-,17-,18-,19+/m0/s1
Definition date:	2022-01-06
Last modified:	2024-09-27
Release date:	2022-03-02
Identifier:	(1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide

I22

I22
Name:	D-ALTRO-HEPT-2-ULOSE 7-PHOSPHATE
Formula:	C7 H15 O10 P
SMILES:	O=P(OCC(O)C(O)C(O)C(O)C(=O)CO)(O)O
InChi:	InChI=1S/C7H15O10P/c8-1-3(9)5(11)7(13)6(12)4(10)2-17-18(14,15)16/h4-8,10-13H,1-2H2,(H2,14,15,16)/t4-,5-,6-,7+/m1/s1
Synonyms:	7-O-PHOSPHONO-D-ALTRO-HEPT-2-ULOSE
Definition date:	2006-09-11
Last modified:	2024-09-27
Identifier:	7-O-phosphono-D-altro-hept-2-ulose

HB4

HB4
Name:	N-[(1S)-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]imidoformamide
Formula:	C16 H15 N5
SMILES:	c41c(CCC1NC=N)ccc(c3c2ccnc2ncn3)c4
InChi:	InChI=1S/C16H15N5/c17-8-19-14-4-3-10-1-2-11(7-13(10)14)15-12-5-6-18-16(12)21-9-20-15/h1-2,5-9,14H,3-4H2,(H2,17,19)(H,18,20,21)/t14-/m0/s1
Definition date:	2018-06-21
Last modified:	2024-09-27
Release date:	2018-11-28
Identifier:	N-[(1S)-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]imidoformamide

HB5

HB5
Name:	(2~{S})-2-azanyl-~{N}-[(1~{R},2~{R})-1-(iminomethyl)-2-[4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]phenyl]cyclopropyl]-3-thiophen-2-yl-propanamide
Formula:	C28 H33 N5 O3 S2
SMILES:	CN1CCN(CC1)[S](=O)(=O)c2ccc(cc2)c3ccc(cc3)[CH]4C[C]4(NC(=O)[CH](N)Cc5sccc5)C=N
InChi:	InChI=1S/C28H33N5O3S2/c1-32-12-14-33(15-13-32)38(35,36)24-10-8-21(9-11-24)20-4-6-22(7-5-20)25-18-28(25,19-29)31-27(34)26(30)17-23-3-2-16-37-23/h2-11,16,19,25-26,29H,12-15,17-18,30H2,1H3,(H,31,34)/b29-19+/t25-,26+,28+/m1/s1
Definition date:	2018-12-03
Last modified:	2024-09-27
Release date:	2019-04-24
Identifier:	(2~{S})-2-azanyl-~{N}-[(1~{R},2~{R})-1-(iminomethyl)-2-[4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]phenyl]cyclopropyl]-3-thiophen-2-yl-propanamide

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:	2024-09-27
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

I2J

I2J
Name:	2-(2-aminoethoxy)ethan-1-ol
Formula:	C4 H11 N O2
SMILES:	NCCOCCO
InChi:	InChI=1S/C4H11NO2/c5-1-3-7-4-2-6/h6H,1-5H2
Definition date:	2022-01-07
Last modified:	2024-09-27
Release date:	2022-08-03
Identifier:	2-(2-aminoethoxy)ethan-1-ol

HBE

HBE
Name:	(2~{R},3~{S},4~{S},5~{R},6~{S})-5-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2,3,4-triol
Formula:	C7 H12 O5
SMILES:	OC[CH]1[CH](O)[CH](O)[CH](O)[CH]2O[CH]12
InChi:	InChI=1S/C7H12O5/c8-1-2-3(9)4(10)5(11)7-6(2)12-7/h2-11H,1H2/t2-,3+,4+,5-,6+,7-/m1/s1
Definition date:	2018-12-03
Last modified:	2024-09-27
Release date:	2019-10-09
Identifier:	(2~{R},3~{S},4~{S},5~{R},6~{S})-5-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2,3,4-triol

I2M

I2M
Name:	3-methyl-L-alloisoleucine
Formula:	C7 H15 N O2
SMILES:	O=C(O)C(N)C(C)(CC)C
InChi:	InChI=1S/C7H15NO2/c1-4-7(2,3)5(8)6(9)10/h5H,4,8H2,1-3H3,(H,9,10)/t5-/m1/s1
Synonyms:	beta-methylisoleucine
Definition date:	2008-06-01
Last modified:	2024-09-27
Identifier:	3-methyl-L-alloisoleucine

HBX

HBX
Name:	benzaldehyde
Formula:	C7 H6 O
SMILES:	O=Cc1ccccc1
InChi:	InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H
Definition date:	2009-02-26
Last modified:	2024-09-27
Identifier:	benzaldehyde

I3D

I3D
Name:	5,6-difluoro-tryptophan
Formula:	C11 H10 F2 N2 O2
SMILES:	N[CH](Cc1c[nH]c2cc(F)c(F)cc12)C(O)=O
InChi:	InChI=1S/C11H10F2N2O2/c12-7-2-6-5(1-9(14)11(16)17)4-15-10(6)3-8(7)13/h2-4,9,15H,1,14H2,(H,16,17)/t9-/m0/s1
Synonyms:	(2S)-2-azanyl-3-[5,6-bis(fluoranyl)-1H-indol-3-yl]propanoic acid
Definition date:	2022-02-10
Last modified:	2024-09-27
Release date:	2022-11-23
Identifier:	(2~{S})-2-azanyl-3-[5,6-bis(fluoranyl)-1~{H}-indol-3-yl]propanoic acid

I3E

I3E
Name:	1-(4-ethylphenyl)propan-1-one
Formula:	C11 H14 O
SMILES:	O=C(c1ccc(cc1)CC)CC
InChi:	InChI=1S/C11H14O/c1-3-9-5-7-10(8-6-9)11(12)4-2/h5-8H,3-4H2,1-2H3
Synonyms:	1-(4-ethylphenyl)prop-2-en-1-one, bound form
Definition date:	2011-07-26
Last modified:	2024-09-27
Identifier:	1-(4-ethylphenyl)propan-1-one

I3R

I3R
Name:	2-chloro-1-[(5R)-3-phenyl-5-(quinoxalin-5-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
Formula:	C19 H15 Cl N4 O
SMILES:	O=C(CCl)N1N=C(CC1c1cccc2nccnc21)c1ccccc1
InChi:	InChI=1S/C19H15ClN4O/c20-12-18(25)24-17(11-16(23-24)13-5-2-1-3-6-13)14-7-4-8-15-19(14)22-10-9-21-15/h1-10,17H,11-12H2/t17-/m1/s1
Definition date:	2023-05-03
Last modified:	2024-09-27
Release date:	2023-06-07
Identifier:	2-chloro-1-[(5R)-3-phenyl-5-(quinoxalin-5-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one

HCI

HCI
Name:	HYDROCINNAMIC ACID
Formula:	C9 H10 O2
SMILES:	O=C(O)CCc1ccccc1
InChi:	InChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)
Synonyms:	3PP
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	3-phenylpropanoic acid

HCL

HCL
Name:	(2S)-2-azanyl-2-[2-chloranyl-3,5-bis(oxidanyl)phenyl]ethanoic acid
Formula:	C8 H8 Cl N O4
SMILES:	N[CH](C(O)=O)c1cc(O)cc(O)c1Cl
InChi:	InChI=1S/C8H8ClNO4/c9-6-4(7(10)8(13)14)1-3(11)2-5(6)12/h1-2,7,11-12H,10H2,(H,13,14)/t7-/m0/s1
Definition date:	2012-03-05
Last modified:	2024-09-27
Identifier:	(2S)-2-azanyl-2-[2-chloranyl-3,5-bis(oxidanyl)phenyl]ethanoic acid

HCO

HCO
Name:	2-ACETYL-PROTOPORPHYRIN IX
Formula:	C34 H34 Fe N4 O5
SMILES:	O=C(O)CCC1=C(C2=CC4=C(C(C3=CC5=C(C)C(C=C)C6=Cc8c(c(c7C=C1N2[Fe](N34)(N56)n78)CCC(=O)O)C)C(O)=C)C)C
InChi:	InChI=1S/C34H34N4O5.Fe/c1-7-21-16(2)26-14-31-34(20(6)39)19(5)27(38-31)12-24-17(3)22(8-10-32(40)41)29(36-24)15-30-23(9-11-33(42)43)18(4)25(37-30)13-28(21)35-26
Definition date:	2003-09-15
Last modified:	2024-09-27
Identifier:	{3,3'-[(7R,12S)-7-ethenyl-12-(1-hydroxyethenyl)-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron

HCS

HCS
Name:	2-AMINO-4-MERCAPTO-BUTYRIC ACID
Formula:	C4 H9 N O2 S
SMILES:	O=C(O)C(N)CCS
InChi:	InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m0/s1
Synonyms:	L-Homocysteine
Definition date:	2001-08-14
Last modified:	2024-09-27
Identifier:	L-homocysteine

HD0

HD0
Name:	(2S)-2-[(3S)-3-amino-2,5-dioxopyrrolidin-1-yl]-3-(1H-imidazol-5-yl)propanoic acid
Formula:	C10 H12 N4 O4
SMILES:	O=C(O)C(N1C(=O)CC(C1=O)N)Cc2ncnc2
InChi:	InChI=1S/C10H12N4O4/c11-6-2-8(15)14(9(6)16)7(10(17)18)1-5-3-12-4-13-5/h3-4,6-7H,1-2,11H2,(H,12,13)(H,17,18)/t6-,7-/m0/s1
Definition date:	2010-11-01
Last modified:	2024-09-27
Release date:	2022-06-29
Identifier:	(2S)-2-[(3S)-3-amino-2,5-dioxopyrrolidin-1-yl]-3-(1H-imidazol-5-yl)propanoic acid

I4G

I4G
Name:	N-(2-methylpropyl)glycine
Formula:	C6 H13 N O2
SMILES:	O=C(O)CNCC(C)C
InChi:	InChI=1S/C6H13NO2/c1-5(2)3-7-4-6(8)9/h5,7H,3-4H2,1-2H3,(H,8,9)
Definition date:	2014-04-04
Last modified:	2024-09-27
Release date:	2014-07-23
Identifier:	N-(2-methylpropyl)glycine

HD5

HD5
Name:	[5-(aminomethyl)-1-benzothiophen-2-yl]boronic acid
Formula:	C9 H10 B N O2 S
SMILES:	NCc1ccc2sc(cc2c1)B(O)O
InChi:	InChI=1S/C9H10BNO2S/c11-5-6-1-2-8-7(3-6)4-9(14-8)10(12)13/h1-4,12-13H,5,11H2
Definition date:	2018-12-03
Last modified:	2024-09-27
Release date:	2019-04-24
Identifier:	[5-(aminomethyl)-1-benzothiophen-2-yl]boronic acid

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