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SOT

SOT
Name:	morpholine-4-sulfonic acid
Formula:	C4 H9 N O4 S
SMILES:	O=S(=O)(O)N1CCOCC1
InChi:	InChI=1S/C4H9NO4S/c6-10(7,8)5-1-3-9-4-2-5/h1-4H2,(H,6,7,8)
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	morpholine-4-sulfonic acid

SOW

SOW
Name:	[(2-amino-2-oxoethyl)amino]acetic acid
Formula:	C4 H8 N2 O3
SMILES:	NC(=O)CNCC(=O)O
InChi:	InChI=1S/C4H8N2O3/c5-3(7)1-6-2-4(8)9/h6H,1-2H2,(H2,5,7)(H,8,9)
Definition date:	2022-07-07
Last modified:	2024-09-27
Release date:	2022-12-07
Identifier:	[(2-amino-2-oxoethyl)amino]acetic acid

SPD

SPD
Name:	SPERMIDINE
Formula:	C7 H19 N3
SMILES:	NCCCNCCCCN
InChi:	InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2
Synonyms:	N-(2-AMINO-PROPYL)-1,4-DIAMINOBUTANE
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	N-(3-aminopropyl)butane-1,4-diamine

SPM

SPM
Name:	SPERMINE
Formula:	C10 H26 N4
SMILES:	NCCCNCCCCNCCCN
InChi:	InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	N,N'-bis(3-aminopropyl)butane-1,4-diamine

SQ3

SQ3
Name:	(1R,2S,5S)-3-[(2,4-dichlorophenoxy)acetyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
Formula:	C23 H29 Cl2 N3 O5
SMILES:	CC1(C)C2C(C(=O)NC(CC3CCNC3=O)CO)N(CC21)C(=O)COc1ccc(Cl)cc1Cl
InChi:	InChI=1S/C23H29Cl2N3O5/c1-23(2)15-9-28(18(30)11-33-17-4-3-13(24)8-16(17)25)20(19(15)23)22(32)27-14(10-29)7-12-5-6-26-21(12)31/h3-4,8,12,14-15,19-20,29H,5-7,9-11H2,1-2H3,(H,26,31)(H,27,32)/t12-,14-,15-,19-,20-/m0/s1
Definition date:	2023-08-28
Last modified:	2024-09-27
Release date:	2024-08-28
Identifier:	(1R,2S,5S)-3-[(2,4-dichlorophenoxy)acetyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide

SQ6

SQ6
Name:	2,2'-azanediyldiacetic acid
Formula:	C4 H7 N O4
SMILES:	O=C(O)CNCC(=O)O
InChi:	InChI=1S/C4H7NO4/c6-3(7)1-5-2-4(8)9/h5H,1-2H2,(H,6,7)(H,8,9)
Definition date:	2022-07-07
Last modified:	2024-09-27
Release date:	2022-12-07
Identifier:	2,2'-azanediyldiacetic acid

SQI

SQI
Name:	hexadecan-1-amine
Formula:	C16 H35 N
SMILES:	CCCCCCCCCCCCCCCCN
InChi:	InChI=1S/C16H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-17H2,1H3
Definition date:	2022-07-07
Last modified:	2024-09-27
Release date:	2022-12-07
Identifier:	hexadecan-1-amine

SQW

SQW
Name:	propan-2-yl 4-indol-1-yl-4-oxidanylidene-butanoate
Formula:	C15 H17 N O3
SMILES:	CC(C)OC(=O)CCC(=O)n1ccc2ccccc12
InChi:	InChI=1S/C15H17NO3/c1-11(2)19-15(18)8-7-14(17)16-10-9-12-5-3-4-6-13(12)16/h3-6,9-11H,7-8H2,1-2H3
Definition date:	2020-11-30
Last modified:	2024-09-27
Release date:	2021-08-04
Identifier:	propan-2-yl 4-indol-1-yl-4-oxidanylidene-butanoate

SR2

SR2
Name:	(2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide
Formula:	C20 H20 Br N5 O
SMILES:	Brc1cccc(c1)Nc3ncnc2c3cc(cc2)NC(=O)/C=C/CN(C)C
InChi:	InChI=1S/C20H20BrN5O/c1-26(2)10-4-7-19(27)24-16-8-9-18-17(12-16)20(23-13-22-18)25-15-6-3-5-14(21)11-15/h3-9,11-13H,10H2,1-2H3,(H,24,27)(H,22,23,25)/b7-4+
Definition date:	2007-08-06
Last modified:	2024-09-27
Identifier:	(2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide

SR3

SR3
Name:	(2S,3R)-4-(2-amino-2-oxoethoxy)-3-(dihydroxy-lambda~4~-sulfanyl)-3-methyl-4-oxo-2-{[(1E)-3-oxoprop-1-en-1-yl]amino}butanoic acid
Formula:	C10 H16 N2 O8 S
SMILES:	O=C(O)C(NC=CC=O)C(C(=O)OCC(=O)N)(C)S(O)O
InChi:	InChI=1S/C10H16N2O8S/c1-10(21(18)19,9(17)20-5-6(11)14)7(8(15)16)12-3-2-4-13/h2-4,7,12,18-19,21H,5H2,1H3,(H2,11,14)(H,15,16)/b3-2+/t7-,10+/m0/s1
Definition date:	2011-05-12
Last modified:	2024-09-27
Identifier:	(2S,3R)-4-(2-amino-2-oxoethoxy)-3-(dihydroxy-lambda~4~-sulfanyl)-3-methyl-4-oxo-2-{[(1E)-3-oxoprop-1-en-1-yl]amino}butanoic acid (non-preferred name)

SRB

SRB
Name:	L-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID
Formula:	C14 H17 B N O4
SMILES:	O=C(NC([B-](O)(O)O)Cc2cccc1ccccc12)C
InChi:	InChI=1S/C14H17BNO4/c1-10(17)16-14(15(18,19)20)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,14,18-20H,9H2,1H3,(H,16,17)/q-1/t14-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	[(1R)-1-(acetylamino)-2-naphthalen-1-ylethyl](trihydroxy)borate(1-)

SRD

SRD
Name:	D-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID
Formula:	C14 H17 B N O4
SMILES:	O=C(NC([B-](O)(O)O)Cc2cccc1ccccc12)C
InChi:	InChI=1S/C14H17BNO4/c1-10(17)16-14(15(18,19)20)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,14,18-20H,9H2,1H3,(H,16,17)/q-1/t14-/m1/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	[(1S)-1-(acetylamino)-2-naphthalen-1-ylethyl](trihydroxy)borate(1-)

SRG

SRG
Name:	(2S)-2-[[(2S)-1-[[(5S,8S,9E)-2,7-dioxo-5-propan-2-yl-1,6-diazacyclododeca-3,9-dien-8-yl]amino]-3-methyl-1-oxo-butan-2-yl]carbamoylamino]-3-methyl-butanoic acid
Formula:	C24 H39 N5 O6
SMILES:	O=C(O)C(NC(=O)NC(C(=O)NC1C(=O)NC(C=CC(=O)NCCC=C1)C(C)C)C(C)C)C(C)C
InChi:	InChI=1S/C24H39N5O6/c1-13(2)16-10-11-18(30)25-12-8-7-9-17(21(31)26-16)27-22(32)19(14(3)4)28-24(35)29-20(15(5)6)23(33)34/h7,9-11,13-17,19-20H,8,12H2,1-6H3,(H,25,30)(H,26,31)(H,27,32)(H,33,34)(H2,28,29,35)/b9-7+,11-10?/t16-,17+,19+,20+/m1/s1
Synonyms:	Syringolin A
Definition date:	2007-11-20
Last modified:	2024-09-27
Identifier:	N-{[(1S)-2-methyl-1-{[(3E,5S,8S,9E)-5-(1-methylethyl)-2,7-dioxo-1,6-diazacyclododeca-3,9-dien-8-yl]carbamoyl}propyl]carbamoyl}-L-valine

SRH

SRH
Name:	ethyl 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoate
Formula:	C14 H17 N O3
SMILES:	CCOC(=O)CCC(=O)N1CCc2ccccc12
InChi:	InChI=1S/C14H17NO3/c1-2-18-14(17)8-7-13(16)15-10-9-11-5-3-4-6-12(11)15/h3-6H,2,7-10H2,1H3
Definition date:	2020-11-30
Last modified:	2024-09-27
Release date:	2021-08-04
Identifier:	ethyl 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoate

SRM

SRM
Name:	SIROHEME
Formula:	C42 H44 Fe N4 O16
SMILES:	O=C(O)CCC=6C7=Cc1c(c(c2n1[Fe]84N5C(=CC3=C(CCC(=O)O)C(C(=C2)N34)(C)CC(=O)O)C(C(=C5C=C(C=6CC(=O)O)N78)CCC(=O)O)(C)CC(=O)O)CC(=O)O)CCC(=O)O
InChi:	InChI=1S/C42H46N4O16.Fe/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	{3,3',3'',3'''-[(8S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-8,13,22,24-tetrahydroporphyrin-2,7,12,18-tetrayl-kappa~4~N~21~,N~22~,N~23~,N~24~]tetrapropanoato(4-)}iron

SRO

SRO
Name:	SEROTONIN
Formula:	C10 H12 N2 O
SMILES:	Oc1cc2c(cc1)ncc2CCN
InChi:	InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
Synonyms:	3-(2-AMINOETHYL)-1H-INDOL-5-OL
Definition date:	2007-07-11
Last modified:	2024-09-27
Identifier:	3-(2-aminoethyl)-1H-indol-5-ol

SRQ

SRQ
Name:	2,2-bis(fluoranyl)ethyl 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoate
Formula:	C14 H15 F2 N O3
SMILES:	FC(F)COC(=O)CCC(=O)N1CCc2ccccc12
InChi:	InChI=1S/C14H15F2NO3/c15-12(16)9-20-14(19)6-5-13(18)17-8-7-10-3-1-2-4-11(10)17/h1-4,12H,5-9H2
Definition date:	2020-11-30
Last modified:	2024-09-27
Release date:	2021-08-04
Identifier:	2,2-bis(fluoranyl)ethyl 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoate

SRU

SRU
Name:	1-[(5S)-5-(3,4-dimethoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
Formula:	C19 H20 N2 O3
SMILES:	O=C(C)N1N=C(CC1c1ccc(OC)c(OC)c1)c1ccccc1
InChi:	InChI=1S/C19H20N2O3/c1-13(22)21-17(12-16(20-21)14-7-5-4-6-8-14)15-9-10-18(23-2)19(11-15)24-3/h4-11,17H,12H2,1-3H3/t17-/m0/s1
Definition date:	2022-07-08
Last modified:	2024-09-27
Release date:	2023-05-17
Identifier:	1-[(5S)-5-(3,4-dimethoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one

SRZ

SRZ
Name:	PROPOXY-L-SERINE
Formula:	C6 H13 N O4
SMILES:	O=C(O)C(N)COCCCO
InChi:	InChI=1S/C6H13NO4/c7-5(6(9)10)4-11-3-1-2-8/h5,8H,1-4,7H2,(H,9,10)/t5-/m0/s1
Definition date:	2013-11-05
Last modified:	2024-09-27
Release date:	2013-12-04
Identifier:	O-(3-hydroxypropyl)-L-serine

SSH

SSH
Name:	3-DEOXY-D-ARABINO-HEXONIC ACID
Formula:	C6 H12 O6
SMILES:	O=C(O)C(O)CC(O)C(O)CO
InChi:	InChI=1S/C6H12O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3-5,7-10H,1-2H2,(H,11,12)/t3-,4-,5+/m0/s1
Synonyms:	D-2-KETO-3-DEOXYGLUCONATE
Definition date:	2004-07-17
Last modified:	2024-09-27
Identifier:	3-deoxy-D-arabino-hexonic acid

SSN

SSN
Name:	4-oxobutanoic acid
Formula:	C4 H6 O3
SMILES:	O=CCCC(=O)O
InChi:	InChI=1S/C4H6O3/c5-3-1-2-4(6)7/h3H,1-2H2,(H,6,7)
Synonyms:	Succinic semialdehyde
Definition date:	2011-01-31
Last modified:	2024-09-27
Identifier:	4-oxobutanoic acid

STA

STA
Name:	STATINE
Formula:	C8 H17 N O3
SMILES:	O=C(O)CC(O)C(N)CC(C)C
InChi:	InChI=1S/C8H17NO3/c1-5(2)3-6(9)7(10)4-8(11)12/h5-7,10H,3-4,9H2,1-2H3,(H,11,12)/t6-,7-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(3S,4S)-4-amino-3-hydroxy-6-methylheptanoic acid

STE

STE
Name:	STEARIC ACID
Formula:	C18 H36 O2
SMILES:	O=C(O)CCCCCCCCCCCCCCCCC
InChi:	InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	octadecanoic acid

STH

STH
Name:	2-AMINO-4H-1,3-BENZOXATHIIN-4-OL
Formula:	C8 H9 N O2 S
SMILES:	O2c1ccccc1C(O)SC2N
InChi:	InChI=1S/C8H9NO2S/c9-8-11-6-4-2-1-3-5(6)7(10)12-8/h1-4,7-8,10H,9H2/t7-,8+/m1/s1
Definition date:	2004-11-03
Last modified:	2024-09-27
Identifier:	(2S,4R)-2-amino-4H-1,3-benzoxathiin-4-ol

ODN

ODN
Name:	(1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14R,16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one
Formula:	C20 H30 O6
SMILES:	O=C2C(C)C4CCC3C51C(C(O)C(O)(OC1)C23C4O)C(CCC5O)(C)C
InChi:	InChI=1S/C20H30O6/c1-9-10-4-5-11-18-8-26-20(25,19(11,14(9)22)15(10)23)16(24)13(18)17(2,3)7-6-12(18)21/h9-13,15-16,21,23-25H,4-8H2,1-3H3/t9-,10+,11+,12+,13-,15-,16+,18-,19+,20-/m1/s1
Definition date:	2014-04-25
Last modified:	2024-09-27
Release date:	2014-10-15
Identifier:	(1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14R,16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one

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