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PSN

PSN
Name:	BENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE
Formula:	C14 H13 O5 P
SMILES:	O=P(OCc1ccccc1)(Oc2ccccc2C=O)O
InChi:	InChI=1S/C14H13O5P/c15-10-13-8-4-5-9-14(13)19-20(16,17)18-11-12-6-2-1-3-7-12/h1-10H,11H2,(H,16,17)
Synonyms:	PASBN
Definition date:	2003-06-20
Last modified:	2024-09-27
Identifier:	benzyl 2-formylphenyl hydrogen (R)-phosphate

PSR

PSR
Name:	THIOBUTYRIC ACID S-{2-[3-(2-HYDROXY-3,3-DIMETHYL-4-PHOSPHONOOXY-BUTYRYLAMINO)-PROPIONYLAMINO]-ETHYL} ESTER
Formula:	C15 H29 N2 O8 P S
SMILES:	O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O)CCC
InChi:	InChI=1S/C15H29N2O8PS/c1-4-5-12(19)27-9-8-16-11(18)6-7-17-14(21)13(20)15(2,3)10-25-26(22,23)24/h13,20H,4-10H2,1-3H3,(H,16,18)(H,17,21)(H2,22,23,24)/t13-/m1/s1
Definition date:	2002-02-26
Last modified:	2024-09-27
Identifier:	S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] butanethioate

GH4

GH4
Name:	4-[1,3-benzodioxol-5-ylmethyl(2-phenoxyethyl)amino]-5-fluoropyrimidine-2-carbonitrile
Formula:	C21 H19 F N4 O3
SMILES:	Fc1cnc(C=N)nc1N(CCOc2ccccc2)Cc3ccc4OCOc4c3
InChi:	InChI=1S/C21H19FN4O3/c22-17-12-24-20(11-23)25-21(17)26(8-9-27-16-4-2-1-3-5-16)13-15-6-7-18-19(10-15)29-14-28-18/h1-7,10-12,23H,8-9,13-14H2/b23-11+
Definition date:	2016-12-21
Last modified:	2024-09-27
Release date:	2017-03-22
Identifier:	~{N}-(1,3-benzodioxol-5-ylmethyl)-5-fluoranyl-2-(iminomethyl)-~{N}-(2-phenoxyethyl)pyrimidin-4-amine

PSW

PSW
Name:	3-(SULFANYLSELANYL)-L-ALANINE
Formula:	C3 H7 N O2 S Se
SMILES:	O=C(O)C(N)C[Se]S
InChi:	InChI=1S/C3H7NO2SSe/c4-2(1-8-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
Definition date:	2009-08-07
Last modified:	2024-09-27
Identifier:	3-(sulfanylselanyl)-L-alanine

PSX

PSX
Name:	[(2S,3R,4S)-2,4-DIHYDROXY-3-METHYLHEXYL]PHOSPHONIC ACID
Formula:	C7 H17 O5 P
SMILES:	O=P(O)(O)CC(O)C(C(O)CC)C
InChi:	InChI=1S/C7H17O5P/c1-3-6(8)5(2)7(9)4-13(10,11)12/h5-9H,3-4H2,1-2H3,(H2,10,11,12)/t5-,6+,7-/m1/s1
Definition date:	2006-06-06
Last modified:	2024-09-27
Identifier:	[(2S,3R,4S)-2,4-dihydroxy-3-methylhexyl]phosphonic acid

23F

23F
Name:	(2Z)-2-AMINO-3-PHENYLACRYLIC ACID
Formula:	C9 H9 N O2
SMILES:	O=C(O)C(/N)=C/c1ccccc1
InChi:	InChI=1S/C9H9NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-6H,10H2,(H,11,12)/b8-6-
Synonyms:	DEHYDROPHENYLALANINE
Definition date:	2005-10-17
Last modified:	2024-09-27
Identifier:	(2Z)-2-amino-3-phenylprop-2-enoic acid

PSY

PSY
Name:	phenyl ethenesulfonate
Formula:	C8 H8 O3 S
SMILES:	O=S(=O)(Oc1ccccc1)C=C
InChi:	InChI=1S/C8H8O3S/c1-2-12(9,10)11-8-6-4-3-5-7-8/h2-7H,1H2
Definition date:	2007-12-14
Last modified:	2024-09-27
Identifier:	phenyl ethenesulfonate

GHG

GHG
Name:	(2S,4S)-2,5-diamino-4-hydroxy-5-oxopentanoic acid (non-preferred name)
Formula:	C5 H10 N2 O4
SMILES:	O=C(N)C(O)CC(C(=O)O)N
InChi:	InChI=1S/C5H10N2O4/c6-2(5(10)11)1-3(8)4(7)9/h2-3,8H,1,6H2,(H2,7,9)(H,10,11)/t2-,3-/m0/s1
Definition date:	2004-01-20
Last modified:	2024-09-27
Identifier:	(2S,4S)-2,5-diamino-4-hydroxy-5-oxopentanoic acid (non-preferred name)

23P

23P
Name:	3-(propanoylamino)-L-alanine
Formula:	C6 H12 N2 O3
SMILES:	O=C(NCC(N)C(=O)O)CC
InChi:	InChI=1S/C6H12N2O3/c1-2-5(9)8-3-4(7)6(10)11/h4H,2-3,7H2,1H3,(H,8,9)(H,10,11)/t4-/m0/s1
Definition date:	2012-12-12
Last modified:	2024-09-27
Release date:	2013-08-14
Identifier:	3-(propanoylamino)-L-alanine

23S

23S
Name:	(S)-2-AMINO-3-(6H-SELENOLO[2,3-B]-PYRROL-4-YL)-PROPIONIC ACID
Formula:	C9 H10 N2 O2 Se
SMILES:	O=C(O)C(N)Cc2c1cc[se]c1nc2
InChi:	InChI=1S/C9H10N2O2Se/c10-7(9(12)13)3-5-4-11-8-6(5)1-2-14-8/h1-2,4,7,11H,3,10H2,(H,12,13)/t7-/m0/s1
Definition date:	2004-01-02
Last modified:	2024-09-27
Identifier:	3-(6H-selenopheno[2,3-b]pyrrol-4-yl)-L-alanine

GHP

GHP
Name:	(2R)-amino(4-hydroxyphenyl)ethanoic 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-/m1/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(2R)-amino(4-hydroxyphenyl)ethanoic acid

PTD

PTD
Name:	PENTANEDIAL
Formula:	C5 H8 O2
SMILES:	O=CCCCC=O
InChi:	InChI=1S/C5H8O2/c6-4-2-1-3-5-7/h4-5H,1-3H2
Definition date:	2000-07-12
Last modified:	2024-09-27
Identifier:	pentanedial

GHS

GHS
Name:	6-carbamimidamidohexanoic acid
Formula:	C7 H15 N3 O2
SMILES:	O=C(O)CCCCCNC(=[N@H])N
InChi:	InChI=1S/C7H15N3O2/c8-7(9)10-5-3-1-2-4-6(11)12/h1-5H2,(H,11,12)(H4,8,9,10)
Definition date:	2012-03-06
Last modified:	2024-09-27
Identifier:	6-carbamimidamidohexanoic acid

PTG

PTG
Name:	(5E,14E)-11-oxoprosta-5,9,12,14-tetraen-1-oic acid
Formula:	C20 H28 O3
SMILES:	O=C1C=CC(C/1=CC=CCCCCC)C/C=C/CCCC(=O)O
InChi:	InChI=1S/C20H28O3/c1-2-3-4-5-6-10-13-18-17(15-16-19(18)21)12-9-7-8-11-14-20(22)23/h6-7,9-10,13,15-17H,2-5,8,11-12,14H2,1H3,(H,22,23)/b9-7+,10-6+,18-13-/t17-/m0/s1
Synonyms:	15-deoxy-delta(12,14)-prostaglandin J2
Definition date:	2008-03-16
Last modified:	2024-09-27
Identifier:	(5E,12Z,14E)-11-oxoprosta-5,9,12,14-tetraen-1-oic acid

PTH

PTH
Name:	CE1-METHYLENE-HYDROXY-PHOSPHOTYROSINE
Formula:	C10 H14 N O7 P
SMILES:	O=P(Oc1ccc(cc1CO)CC(C(=O)O)N)(O)O
InChi:	InChI=1S/C10H14NO7P/c11-8(10(13)14)4-6-1-2-9(7(3-6)5-12)18-19(15,16)17/h1-3,8,12H,4-5,11H2,(H,13,14)(H2,15,16,17)/t8-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	3-(hydroxymethyl)-O-phosphono-L-tyrosine

GHV

GHV
Name:	(2S)-2-[[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]amino]-N-[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3-phenyl-propanamide
Formula:	C27 H34 N4 O4
SMILES:	CN(C)c1ccc(C=CC(=O)N[CH](Cc2ccccc2)C(=O)N[CH](CO)C[CH]3CCNC3=O)cc1
InChi:	InChI=1S/C27H34N4O4/c1-31(2)23-11-8-19(9-12-23)10-13-25(33)30-24(16-20-6-4-3-5-7-20)27(35)29-22(18-32)17-21-14-15-28-26(21)34/h3-13,21-22,24,32H,14-18H2,1-2H3,(H,28,34)(H,29,35)(H,30,33)/b13-10+/t21-,22-,24-/m0/s1
Definition date:	2012-08-13
Last modified:	2024-09-27
Release date:	2016-06-01
Identifier:	(2~{S})-2-[[(~{E})-3-[4-(dimethylamino)phenyl]prop-2-enoyl]amino]-~{N}-[(2~{S})-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3-phenyl-propanamide

PTL

PTL
Name:	PENTANAL
Formula:	C5 H10 O
SMILES:	O=CCCCC
InChi:	InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	pentanal

GHX

GHX
Name:	(phenylmethyl) N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate
Formula:	C24 H29 N3 O5
SMILES:	OC[CH](C[CH]1CCNC1=O)NC(=O)[CH](Cc2ccccc2)NC(=O)OCc3ccccc3
InChi:	InChI=1S/C24H29N3O5/c28-15-20(14-19-11-12-25-22(19)29)26-23(30)21(13-17-7-3-1-4-8-17)27-24(31)32-16-18-9-5-2-6-10-18/h1-10,19-21,28H,11-16H2,(H,25,29)(H,26,30)(H,27,31)/t19-,20-,21-/m0/s1
Definition date:	2012-08-13
Last modified:	2024-09-27
Release date:	2016-06-01
Identifier:	(phenylmethyl) ~{N}-[(2~{S})-1-oxidanylidene-1-[[(2~{S})-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate

GHY

GHY
Name:	propan-2-yl N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate
Formula:	C20 H29 N3 O5
SMILES:	CC(C)OC(=O)N[CH](Cc1ccccc1)C(=O)N[CH](CO)C[CH]2CCNC2=O
InChi:	InChI=1S/C20H29N3O5/c1-13(2)28-20(27)23-17(10-14-6-4-3-5-7-14)19(26)22-16(12-24)11-15-8-9-21-18(15)25/h3-7,13,15-17,24H,8-12H2,1-2H3,(H,21,25)(H,22,26)(H,23,27)/t15-,16-,17-/m0/s1
Definition date:	2012-08-15
Last modified:	2024-09-27
Release date:	2016-06-01
Identifier:	propan-2-yl ~{N}-[(2~{S})-1-oxidanylidene-1-[[(2~{S})-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate

PTM

PTM
Name:	ALPHA-METHYL-O-PHOSPHOTYROSINE
Formula:	C10 H14 N O6 P
SMILES:	O=P(Oc1ccc(cc1)CC(C(=O)O)(N)C)(O)O
InChi:	InChI=1S/C10H14NO6P/c1-10(11,9(12)13)6-7-2-4-8(5-3-7)17-18(14,15)16/h2-5H,6,11H2,1H3,(H,12,13)(H2,14,15,16)/t10-/m0/s1
Definition date:	2001-09-19
Last modified:	2024-09-27
Identifier:	alpha-methyl-O-phosphono-L-tyrosine

GHZ

GHZ
Name:	2-methylpropyl N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate
Formula:	C21 H31 N3 O5
SMILES:	CC(C)COC(=O)N[CH](Cc1ccccc1)C(=O)N[CH](CO)C[CH]2CCNC2=O
InChi:	InChI=1S/C21H31N3O5/c1-14(2)13-29-21(28)24-18(10-15-6-4-3-5-7-15)20(27)23-17(12-25)11-16-8-9-22-19(16)26/h3-7,14,16-18,25H,8-13H2,1-2H3,(H,22,26)(H,23,27)(H,24,28)/t16-,17-,18-/m0/s1
Definition date:	2012-08-15
Last modified:	2024-09-27
Release date:	2016-06-01
Identifier:	2-methylpropyl ~{N}-[(2~{S})-1-oxidanylidene-1-[[(2~{S})-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate

247

247
Name:	(3R)-3-amino-2,2-difluoro-3-(4-hydroxyphenyl)propanoic acid
Formula:	C9 H9 F2 N O3
SMILES:	O=C(O)C(F)(F)C(N)c1ccc(O)cc1
InChi:	InChI=1S/C9H9F2NO3/c10-9(11,8(14)15)7(12)5-1-3-6(13)4-2-5/h1-4,7,13H,12H2,(H,14,15)/t7-/m1/s1
Definition date:	2007-09-14
Last modified:	2024-09-27
Identifier:	(3R)-3-amino-2,2-difluoro-3-(4-hydroxyphenyl)propanoic acid

PTX

PTX
Name:	{[(2E)-2-(2-AMINO-1,3-THIAZOL-4-YL)-2-(METHOXYIMINO)ETHANOYL]AMINO}METHYLPHOSPHONIC ACID
Formula:	C7 H11 N4 O5 P S
SMILES:	O=P(O)(O)CNC(=O)C(=NOC)/c1nc(sc1)N
InChi:	InChI=1S/C7H11N4O5PS/c1-16-11-5(4-2-18-7(8)10-4)6(12)9-3-17(13,14)15/h2H,3H2,1H3,(H2,8,10)(H,9,12)(H2,13,14,15)/b11-5-
Definition date:	2003-11-24
Last modified:	2024-09-27
Identifier:	({[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}methyl)phosphonic acid

PTY

PTY
Name:	PHOSPHATIDYLETHANOLAMINE
Formula:	C40 H80 N O8 P
SMILES:	O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCCCC)COP(=O)(OCCN)O)CCCCCCCCCCCCCC
InChi:	InChI=1S/C40H80NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41)36-46-39(42)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h38H,3-37,41H2,1-2H3,(H,44,45)/t38-/m1/s1
Definition date:	2002-04-01
Last modified:	2024-09-27
Identifier:	(1R)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(pentadecanoyloxy)methyl]ethyl icosanoate

GIC

GIC
Name:	N-(2-aminoethyl)-N-(1H-indol-3-ylacetyl)glycine
Formula:	C14 H17 N3 O3
SMILES:	O=C(O)CN(C(=O)Cc2c1ccccc1nc2)CCN
InChi:	InChI=1S/C14H17N3O3/c15-5-6-17(9-14(19)20)13(18)7-10-8-16-12-4-2-1-3-11(10)12/h1-4,8,16H,5-7,9,15H2,(H,19,20)
Definition date:	2010-10-14
Last modified:	2024-09-27
Identifier:	N-(2-aminoethyl)-N-(1H-indol-3-ylacetyl)glycine

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