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IOY

IOY
Name:	P-IODO-D-PHENYLALANINE
Formula:	C9 H10 I N O2
SMILES:	Ic1ccc(cc1)CC(C(=O)O)N
InChi:	InChI=1S/C9H10INO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m1/s1
Synonyms:	4-IODOPHENYLALANINE
Definition date:	2004-09-14
Last modified:	2024-09-27
Identifier:	4-iodo-D-phenylalanine

IP8

IP8
Name:	Isopentenyl phosphate
Formula:	C5 H11 O4 P
SMILES:	O=P(OCCC(=C)C)(O)O
InChi:	InChI=1S/C5H11O4P/c1-5(2)3-4-9-10(6,7)8/h1,3-4H2,2H3,(H2,6,7,8)
Synonyms:	3-methylbut-3-en-1-yl dihydrogen phosphate
Definition date:	2009-10-21
Last modified:	2024-09-27
Identifier:	3-methylbut-3-en-1-yl dihydrogen phosphate

IPD

IPD
Name:	D-MYO-INOSITOL-1-PHOSPHATE
Formula:	C6 H11 O9 P
SMILES:	O=P([O-])([O-])OC1C(O)C(O)C(O)C(O)C1O
InChi:	InChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/p-2/t1-,2-,3+,4-,5-,6-/m1/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate

D1R

D1R
Name:	NALPHA-[(4-METHYLPIPERAZIN-1-YL)CARBONYL]-N-{(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}-L-PHENYLALANINAMIDE
Formula:	C32 H40 N4 O4 S
SMILES:	O=C(N1CCN(C)CC1)NC(C(=O)NC(CCS(=O)(=O)c2ccccc2)CCc3ccccc3)Cc4ccccc4
InChi:	InChI=1S/C32H40N4O4S/c1-35-20-22-36(23-21-35)32(38)34-30(25-27-13-7-3-8-14-27)31(37)33-28(18-17-26-11-5-2-6-12-26)19-24-41(39,40)29-15-9-4-10-16-29/h2-16,28,30H,17-25H2,1H3,(H,33,37)(H,34,38)/t28-,30-/m0/s1
Definition date:	2007-04-19
Last modified:	2024-09-27
Identifier:	Nalpha-[(4-methylpiperazin-1-yl)carbonyl]-N-{(1S)-3-phenyl-1-[2-(phenylsulfonyl)ethyl]propyl}-L-phenylalaninamide

D1T

D1T
Name:	DECANE-1-THIOL
Formula:	C10 H22 S
SMILES:	SCCCCCCCCCC
InChi:	InChI=1S/C10H22S/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3
Definition date:	2007-07-26
Last modified:	2024-09-27
Identifier:	decane-1-thiol

D29

D29
Name:	(Z)-{[(3E)-4-{(R)-[3,5-bis(trifluoromethyl)phenyl]sulfinyl}but-3-en-1-yl]imino}methanethiol
Formula:	C13 H11 F6 N O S2
SMILES:	FC(F)(F)c1cc(S(=O)[C@H]=[C@H]CCN=C/S)cc(c1)C(F)(F)F
InChi:	InChI=1S/C13H11F6NOS2/c14-12(15,16)9-5-10(13(17,18)19)7-11(6-9)23(21)4-2-1-3-20-8-22/h2,4-8H,1,3H2,(H,20,22)/b4-2+/t23-/m1/s1
Definition date:	2018-04-25
Last modified:	2024-09-27
Release date:	2019-04-17
Identifier:	(Z)-{[(3E)-4-{(R)-[3,5-bis(trifluoromethyl)phenyl]sulfinyl}but-3-en-1-yl]imino}methanethiol

D2I

D2I
Name:	~{O}3-~{tert}-butyl ~{O}1-methyl (1~{R},3~{R})-4-oxidanylidene-1-(phenylmethyl)cyclohexane-1,3-dicarboxylate
Formula:	C20 H26 O5
SMILES:	COC(=O)[C]1(CCC(=O)[CH](C1)C(=O)OC(C)(C)C)Cc2ccccc2
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:	2023-07-17
Last modified:	2024-09-27
Release date:	2024-07-24
Identifier:	~{O}3-~{tert}-butyl ~{O}1-methyl (1~{R},3~{R})-4-oxidanylidene-1-(phenylmethyl)cyclohexane-1,3-dicarboxylate

D2T

D2T
Name:	(3R)-3-(methylsulfanyl)-L-aspartic acid
Formula:	C5 H9 N O4 S
SMILES:	NC(C(=O)O)C(SC)C(=O)O
InChi:	InChI=1S/C5H9NO4S/c1-11-3(5(9)10)2(6)4(7)8/h2-3H,6H2,1H3,(H,7,8)(H,9,10)/t2-,3+/m0/s1
Definition date:	2015-03-02
Last modified:	2024-09-27
Release date:	2015-03-18
Identifier:	(3R)-3-(methylsulfanyl)-L-aspartic acid

D3P

D3P
Name:	(2R)-AMINO(3,5-DIHYDROXYPHENYL)ACETIC ACID
Formula:	C8 H9 N O4
SMILES:	O=C(O)C(c1cc(O)cc(O)c1)N
InChi:	InChI=1S/C8H9NO4/c9-7(8(12)13)4-1-5(10)3-6(11)2-4/h1-3,7,10-11H,9H2,(H,12,13)/t7-/m1/s1
Definition date:	2004-09-08
Last modified:	2024-09-27
Identifier:	(2R)-amino(3,5-dihydroxyphenyl)ethanoic acid

D4P

D4P
Name:	(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID
Formula:	C8 H9 N O3
SMILES:	O=C(O)C(N)c1ccc(O)cc1
InChi:	InChI=1S/C8H9NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12)/t7-/m0/s1
Definition date:	2004-09-08
Last modified:	2024-09-27
Identifier:	(2S)-amino(4-hydroxyphenyl)ethanoic acid

D5R

D5R
Name:	~{O}3-~{tert}-butyl ~{O}1-methyl (1~{S},3~{R})-1-methyl-4-oxidanylidene-cyclohexane-1,3-dicarboxylate
Formula:	C14 H22 O5
SMILES:	COC(=O)[C]1(C)CCC(=O)[CH](C1)C(=O)OC(C)(C)C
InChi:	InChI=1S/C14H22O5/c1-13(2,3)19-11(16)9-8-14(4,12(17)18-5)7-6-10(9)15/h9H,6-8H2,1-5H3/t9-,14+/m1/s1
Definition date:	2023-07-17
Last modified:	2024-09-27
Release date:	2024-07-24
Identifier:	~{O}3-~{tert}-butyl ~{O}1-methyl (1~{S},3~{R})-1-methyl-4-oxidanylidene-cyclohexane-1,3-dicarboxylate

D5W

D5W
Name:	(2~{S},3~{S})-2-[[(2~{S})-2-[3,5-bis(chloranyl)phenyl]-2-(dimethylamino)ethanoyl]amino]-~{N}-[[2-(iminomethyl)pyrimidin-4-yl]methyl]-3-methyl-pentanamide
Formula:	C22 H28 Cl2 N6 O2
SMILES:	CC[CH](C)[CH](NC(=O)[CH](N(C)C)c1cc(Cl)cc(Cl)c1)C(=O)NCc2ccnc(C=N)n2
InChi:	InChI=1S/C22H28Cl2N6O2/c1-5-13(2)19(21(31)27-12-17-6-7-26-18(11-25)28-17)29-22(32)20(30(3)4)14-8-15(23)10-16(24)9-14/h6-11,13,19-20,25H,5,12H2,1-4H3,(H,27,31)(H,29,32)/b25-11-/t13-,19-,20-/m0/s1
Definition date:	2017-12-26
Last modified:	2024-09-27
Release date:	2018-08-15
Identifier:	(2~{S},3~{S})-2-[[(2~{S})-2-[3,5-bis(chloranyl)phenyl]-2-(dimethylamino)ethanoyl]amino]-~{N}-[[2-(iminomethyl)pyrimidin-4-yl]methyl]-3-methyl-pentanamide

D6M

D6M
Name:	N-hexadecanoyl-L-glutamic acid
Formula:	C21 H39 N O5
SMILES:	O=C(NC(C(=O)O)CCC(=O)O)CCCCCCCCCCCCCCC
InChi:	InChI=1S/C21H39NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(23)22-18(21(26)27)16-17-20(24)25/h18H,2-17H2,1H3,(H,22,23)(H,24,25)(H,26,27)/t18-/m0/s1
Definition date:	2012-04-02
Last modified:	2024-09-27
Release date:	2013-07-10
Identifier:	N-hexadecanoyl-L-glutamic acid

D7G

D7G
Name:	((1S)-1-((((1S)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2,3-DIOXOPROPYL)AMINO)CARBONYL)-3-METHYLBUTYL)CARBAMIC ACID 5-METHOXY-3-OXAPENTYL ESTER
Formula:	C25 H37 N3 O7
SMILES:	O=C(C(=O)NC1CC1)C(NC(=O)C(NC(=O)OCCOCCOC)CC(C)C)Cc2ccccc2
InChi:	InChI=1S/C25H37N3O7/c1-17(2)15-21(28-25(32)35-14-13-34-12-11-33-3)23(30)27-20(16-18-7-5-4-6-8-18)22(29)24(31)26-19-9-10-19/h4-8,17,19-21H,9-16H2,1-3H3,(H,26,31)(H,27,30)(H,28,32)/t20-,21-/m0/s1
Synonyms:	SNJ-1945
Definition date:	2006-03-08
Last modified:	2024-09-27
Identifier:	N-[(1S)-1-benzyl-3-(cyclopropylamino)-2,3-dioxopropyl]-N~2~-{[2-(2-methoxyethoxy)ethoxy]carbonyl}-L-leucinamide

D7O

D7O
Name:	~{O}3-~{tert}-butyl ~{O}1-methyl (1~{S},3~{S},5~{R})-6-methylidene-4-oxidanylidene-bicyclo[3.2.1]octane-1,3-dicarboxylate
Formula:	C16 H22 O5
SMILES:	COC(=O)[C]12C[CH](C(=C)C1)C(=O)[CH](C2)C(=O)OC(C)(C)C
InChi:	InChI=1S/C16H22O5/c1-9-6-16(14(19)20-5)7-10(9)12(17)11(8-16)13(18)21-15(2,3)4/h10-11H,1,6-8H2,2-5H3/t10-,11+,16+/m1/s1
Definition date:	2023-07-17
Last modified:	2024-09-27
Release date:	2024-07-24
Identifier:	~{O}3-~{tert}-butyl ~{O}1-methyl (1~{S},3~{S},5~{R})-6-methylidene-4-oxidanylidene-bicyclo[3.2.1]octane-1,3-dicarboxylate

D8E

D8E
Name:	~{N}-[(2~{S},5~{S},14~{S})-2-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-9-methyl-3,8,15-tris(oxidanylidene)-1,4,9-triazacyclopentadec-14-yl]-5-methyl-1,2-oxazole-3-carboxamide
Formula:	C26 H34 F N5 O6
SMILES:	CN1CCCC[CH](NC(=O)c2cc(C)on2)C(=O)N[CH](Cc3ccc(F)cc3)C(=O)N[CH](CO)CCC1=O
InChi:	InChI=1S/C26H34FN5O6/c1-16-13-22(31-38-16)26(37)29-20-5-3-4-12-32(2)23(34)11-10-19(15-33)28-25(36)21(30-24(20)35)14-17-6-8-18(27)9-7-17/h6-9,13,19-21,33H,3-5,10-12,14-15H2,1-2H3,(H,28,36)(H,29,37)(H,30,35)/t19-,20-,21-/m0/s1
Synonyms:	LIPID FRAGMENT
Definition date:	2018-01-09
Last modified:	2024-09-27
Release date:	2018-02-21
Identifier:	~{N}-[(2~{S},5~{S},14~{S})-2-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-9-methyl-3,8,15-tris(oxidanylidene)-1,4,9-triazacyclopentadec-14-yl]-5-methyl-1,2-oxazole-3-carboxamide

D8K

D8K
Name:	~{N}-[(5~{S},8~{S},11~{S},15~{R})-8-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-2,7,10,14-tetrakis(oxidanylidene)-1,6,9,13-tetrazabicyclo[13.3.0]octadecan-11-yl]-5-methyl-1,2-oxazole-3-carboxamide
Formula:	C27 H33 F N6 O7
SMILES:	Cc1onc(c1)C(=O)N[CH]2CNC(=O)[CH]3CCCN3C(=O)CC[CH](CO)NC(=O)[CH](Cc4ccc(F)cc4)NC2=O
InChi:	InChI=1S/C27H33FN6O7/c1-15-11-20(33-41-15)25(38)32-21-13-29-27(40)22-3-2-10-34(22)23(36)9-8-18(14-35)30-24(37)19(31-26(21)39)12-16-4-6-17(28)7-5-16/h4-7,11,18-19,21-22,35H,2-3,8-10,12-14H2,1H3,(H,29,40)(H,30,37)(H,31,39)(H,32,38)/t18-,19-,21-,22+/m0/s1
Definition date:	2018-01-09
Last modified:	2024-09-27
Release date:	2018-02-21
Identifier:	~{N}-[(5~{S},8~{S},11~{S},15~{R})-8-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-2,7,10,14-tetrakis(oxidanylidene)-1,6,9,13-tetrazabicyclo[13.3.0]octadecan-11-yl]-5-methyl-1,2-oxazole-3-carboxamide

D8N

D8N
Name:	~{N}-[4-[(5~{R})-4,5-dihydro-1,2-oxazol-5-yl]phenyl]ethanamide
Formula:	C11 H12 N2 O2
SMILES:	CC(=O)Nc1ccc(cc1)[CH]2CC=NO2
InChi:	InChI=1S/C11H12N2O2/c1-8(14)13-10-4-2-9(3-5-10)11-6-7-12-15-11/h2-5,7,11H,6H2,1H3,(H,13,14)/t11-/m1/s1
Definition date:	2018-01-09
Last modified:	2024-09-27
Release date:	2018-11-14
Identifier:	~{N}-[4-[(5~{R})-4,5-dihydro-1,2-oxazol-5-yl]phenyl]ethanamide

DA
Name:	2'-DEOXYADENOSINE-5'-MONOPHOSPHATE
Formula:	C10 H14 N5 O6 P
SMILES:	O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)CC3O
InChi:	InChI=1S/C10H14N5O6P/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(21-7)2-20-22(17,18)19/h3-7,16H,1-2H2,(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1
Definition date:	2001-01-25
Last modified:	2024-09-27
Identifier:	2'-deoxy-5'-adenylic acid

DA2

DA2
Name:	NG,NG-DIMETHYL-L-ARGININE
Formula:	C8 H18 N4 O2
SMILES:	CN(C)C(/NCCCC(N)C(=O)O)=N
InChi:	InChI=1S/C8H18N4O2/c1-12(2)8(10)11-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H2,10,11)(H,13,14)/t6-/m0/s1
Synonyms:	ADMA
Definition date:	1999-07-27
Last modified:	2024-09-27
Identifier:	N~5~-(N,N-dimethylcarbamimidoyl)-L-ornithine

DAC

DAC
Name:	2-DECENOYL N-ACETYL CYSTEAMINE
Formula:	C14 H25 N O2 S
SMILES:	O=C(SCCNC(=O)C)C=C/CCCCCCC
InChi:	InChI=1S/C14H25NO2S/c1-3-4-5-6-7-8-9-10-14(17)18-12-11-15-13(2)16/h9-10H,3-8,11-12H2,1-2H3,(H,15,16)/b10-9-
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	S-[2-(acetylamino)ethyl] (2Z)-dec-2-enethioate

DAL

DAL
Name:	D-ALANINE
Formula:	C3 H7 N O2
SMILES:	O=C(O)C(N)C
InChi:	InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	D-alanine

DAM

DAM
Name:	N-METHYL-ALPHA-BETA-DEHYDROALANINE
Formula:	C4 H7 N O2
SMILES:	O=C(O)C(=C)/NC
InChi:	InChI=1S/C4H7NO2/c1-3(5-2)4(6)7/h5H,1H2,2H3,(H,6,7)
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	2-(methylamino)prop-2-enoic acid

DAO

DAO
Name:	LAURIC ACID
Formula:	C12 H24 O2
SMILES:	O=C(O)CCCCCCCCCCC
InChi:	InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	dodecanoic acid

DAV

DAV
Name:	DELTA-AMINO VALERIC ACID
Formula:	C5 H12 N O2
SMILES:	O=C(O)CCCC[NH3+]
InChi:	InChI=1S/C5H11NO2/c6-4-2-1-3-5(7)8/h1-4,6H2,(H,7,8)/p+1
Definition date:	1999-09-15
Last modified:	2024-09-27
Identifier:	4-carboxybutan-1-aminium

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