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PN8
PN8
Name:(1~{S},2~{R},3~{R},4~{S},5~{S})-4-[[($l^{5}-azanylidyne-$l^{5}-azanyl)amino]methyl]cyclohexane-1,2,3,5-tetrol
Formula:C7 H14 N3 O4
SMILES:O[CH]1C[CH](O)[CH](CN[N]#N)[CH](O)[CH]1O
InChi:InChI=1S/C7H14N3O4/c8-10-9-2-3-4(11)1-5(12)7(14)6(3)13/h3-7,9,11-14H,1-2H2/t3-,4-,5-,6+,7+/m0/s1
Definition date:2020-04-26
Last modified:2024-09-27
Release date:2021-05-12
Identifier:(1~{S},2~{R},3~{R},4~{S},5~{S})-4-[[(azanylidyne-$l^{4}-azanyl)amino]methyl]cyclohexane-1,2,3,5-tetrol
GBG
GBG
Name:N~6~-[(1E)-2-chloroethanimidoyl]-L-lysine
Formula:C8 H16 Cl N3 O2
SMILES:C(CC(N)C(O)=O)CCN/C(CCl)=N
InChi:InChI=1S/C8H16ClN3O2/c9-5-7(11)12-4-2-1-3-6(10)8(13)14/h6H,1-5,10H2,(H2,11,12)(H,13,14)/t6-/m0/s1
Definition date:2018-05-18
Last modified:2024-09-27
Release date:2018-07-25
Identifier:N~6~-[(1E)-2-chloroethanimidoyl]-L-lysine
PND
PND
Name:P-NITROPHENYLHYDRAZINE
Formula:C6 H7 N3 O2
SMILES:[O-][N+](=O)c1ccc(NN)cc1
InChi:InChI=1S/C6H7N3O2/c7-8-5-1-3-6(4-2-5)9(10)11/h1-4,8H,7H2
Definition date:2001-07-27
Last modified:2024-09-27
Identifier:(4-nitrophenyl)hydrazine
PNH
PNH
Name:pentan-2-one
Formula:C5 H10 O
SMILES:O=C(C)CCC
InChi:InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3
Definition date:2007-11-30
Last modified:2024-09-27
Identifier:pentan-2-one
1HZ
1HZ
Name:5'-deoxy-5'-({[2-(2,3-dihydroxyphenyl)ethyl]sulfonyl}amino)adenosine
Formula:C18 H22 N6 O7 S
SMILES:O=S(=O)(NCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)CCc4cccc(O)c4O
InChi:InChI=1S/C18H22N6O7S/c19-16-12-17(21-7-20-16)24(8-22-12)18-15(28)14(27)11(31-18)6-23-32(29,30)5-4-9-2-1-3-10(25)13(9)26/h1-3,7-8,11,14-15,18,23,25-28H,4-6H2,(H2,19,20,21)/t11-,14-,15-,18-/m1/s1
Definition date:2013-02-09
Last modified:2024-09-27
Release date:2013-07-31
Identifier:5'-deoxy-5'-({[2-(2,3-dihydroxyphenyl)ethyl]sulfonyl}amino)adenosine
PNM
PNM
Name:OPEN FORM - PENICILLIN G
Formula:C16 H20 N2 O4 S
SMILES:O=C(NC(C=O)C1SC(C(N1)C(=O)O)(C)C)Cc2ccccc2
InChi:InChI=1S/C16H20N2O4S/c1-16(2)13(15(21)22)18-14(23-16)11(9-19)17-12(20)8-10-6-4-3-5-7-10/h3-7,9,11,13-14,18H,8H2,1-2H3,(H,17,20)(H,21,22)/t11-,13+,14-/m1/s1
Definition date:2000-10-23
Last modified:2024-09-27
Identifier:(2R,4S)-5,5-dimethyl-2-{(1R)-2-oxo-1-[(phenylacetyl)amino]ethyl}-1,3-thiazolidine-4-carboxylic acid
GBS
GBS
Name:4-carbamimidamidobenzoic acid
Formula:C8 H9 N3 O2
SMILES:NC(=N)Nc1ccc(cc1)C(=O)O
InChi:InChI=1S/C8H9N3O2/c9-8(10)11-6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)(H4,9,10,11)
Synonyms:Nafamostat, bound form
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:4-carbamimidamidobenzoic acid
PNS
PNS
Name:4'-PHOSPHOPANTETHEINE
Formula:C11 H23 N2 O7 P S
SMILES:O=C(NCCS)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O
InChi:InChI=1S/C11H23N2O7PS/c1-11(2,7-20-21(17,18)19)9(15)10(16)13-4-3-8(14)12-5-6-22/h9,15,22H,3-7H2,1-2H3,(H,12,14)(H,13,16)(H2,17,18,19)/t9-/m0/s1
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-(2-sulfanylethyl)-beta-alaninamide
PNY
PNY
Name:(2R)-2,4-dihydroxy-3,3-dimethyl-N-{3-oxo-3-[(2-sulfanylethyl)amino]propyl}butanamide
Formula:C11 H22 N2 O4 S
SMILES:O=C(NCCS)CCNC(=O)C(O)C(C)(C)CO
InChi:InChI=1S/C11H22N2O4S/c1-11(2,7-14)9(16)10(17)13-4-3-8(15)12-5-6-18/h9,14,16,18H,3-7H2,1-2H3,(H,12,15)(H,13,17)/t9-/m0/s1
Synonyms:pantetheine
Definition date:2010-07-06
Last modified:2024-09-27
Identifier:(2R)-2,4-dihydroxy-3,3-dimethyl-N-{3-oxo-3-[(2-sulfanylethyl)amino]propyl}butanamide
PO2
PO2
Name:HYPOPHOSPHITE
Formula:O2 P
SMILES:[O-]P=O
InChi:InChI=1S/HO2P/c1-3-2/h(H,1,2)/p-1
Definition date:2001-05-14
Last modified:2024-09-27
PO3
PO3
Name:PHOSPHITE ION
Formula:O3 P
SMILES:[O-][PH2-]([O-])=O
InChi:InChI=1S/O3P/c1-4(2)3/q-3
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:dihydrido(dioxido)oxophosphate(1-)
1IP
1IP
Name:N~2~-(PHOSPHONOACETYL)-L-ASPARAGINE
Formula:C6 H11 N2 O7 P
SMILES:O=C(NC(C(=O)O)CC(=O)N)CP(=O)(O)O
InChi:InChI=1S/C6H11N2O7P/c7-4(9)1-3(6(11)12)8-5(10)2-16(13,14)15/h3H,1-2H2,(H2,7,9)(H,8,10)(H,11,12)(H2,13,14,15)/t3-/m0/s1
Definition date:2006-10-16
Last modified:2024-09-27
Identifier:N~2~-(phosphonoacetyl)-L-asparagine
PO8
PO8
Name:(1~{R},2~{S},3~{S},4~{S},5~{R},6~{R})-5-azanyl-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
Formula:C7 H16 N O5
SMILES:[NH3+][CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1CO
InChi:InChI=1S/C7H15NO5/c8-3-2(1-9)4(10)6(12)7(13)5(3)11/h2-7,9-13H,1,8H2/p+1/t2-,3+,4+,5-,6-,7-/m0/s1
Definition date:2020-04-26
Last modified:2024-09-27
Release date:2021-05-12
Identifier:[(1~{R},2~{R},3~{R},4~{S},5~{S},6~{S})-2-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)cyclohexyl]azanium
GCG
GCG
Name:BIS(GAMMA-GLUTAMYL-CYSTEINYL-GLYCINYL)SPERMIDINE
Formula:C27 H49 N9 O10 S2
SMILES:O=C(NCC(=O)NCCCNCCCCNC(=O)CNC(=O)C(NC(=O)CCC(C(=O)O)N)CS)C(NC(=O)CCC(C(=O)O)N)CS
InChi:InChI=1S/C27H49N9O10S2/c28-16(26(43)44)4-6-20(37)35-18(14-47)24(41)33-12-22(39)31-10-2-1-8-30-9-3-11-32-23(40)13-34-25(42)19(15-48)36-21(38)7-5-17(29)27(45)46/h16-19,30,47-48H,1-15,28-29H2,(H,31,39)(H,32,40)(H,33,41)(H,34,42)(H,35,37)(H,36,38)(H,43,44)(H,45,46)/t16-,17-,18-,19-/m0/s1
Synonyms:TRYPANOTHIONE
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:(2S,7R,26R,31S)-2,31-diamino-5,8,11,22,25,28-hexaoxo-7,26-bis(sulfanylmethyl)-6,9,12,16,21,24,27-heptaazadotriacontane-1,32-dioic acid (non-preferred name)
POA
POA
Name:PHOSPHONOACETALDEHYDE
Formula:C2 H5 O4 P
SMILES:O=CCP(=O)(O)O
InChi:InChI=1S/C2H5O4P/c3-1-2-7(4,5)6/h1H,2H2,(H2,4,5,6)
Definition date:2002-07-12
Last modified:2024-09-27
Identifier:(2-oxoethyl)phosphonic acid
GCP
GCP
Name:PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER
Formula:C11 H18 N5 O13 P3
SMILES:O=P(O)(O)CP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
InChi:InChI=1S/C11H18N5O13P3/c12-11-14-8-5(9(19)15-11)13-2-16(8)10-7(18)6(17)4(28-10)1-27-32(25,26)29-31(23,24)3-30(20,21)22/h2,4,6-7,10,17-18H,1,3H2,(H,23,24)(H,25,26)(H2,20,21,22)(H3,12,14,15,19)/t4-,6-,7-,10-/m1/s1
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:5'-O-[(S)-hydroxy{[(R)-hydroxy(phosphonomethyl)phosphoryl]oxy}phosphoryl]guanosine
POK
POK
Name:2-[[~{N}-[(4~{S})-4-azanyl-5-oxidanylidene-pentyl]carbamimidoyl]amino]ethanoic acid
Formula:C8 H16 N4 O4
SMILES:N[CH](CCCNC(=N)NCC(O)=O)C(O)=O
InChi:InChI=1S/C8H16N4O4/c9-5(7(15)16)2-1-3-11-8(10)12-4-6(13)14/h5H,1-4,9H2,(H,13,14)(H,15,16)(H3,10,11,12)/t5-/m0/s1
Definition date:2020-04-27
Last modified:2024-09-27
Release date:2020-06-03
Identifier:(2~{S})-2-azanyl-5-[[~{N}-(2-hydroxy-2-oxoethyl)carbamimidoyl]amino]pentanoic acid
GCS
GCS
Name:2-amino-2-deoxy-beta-D-glucopyranose
Formula:C6 H13 N O5
SMILES:OC1C(O)C(OC(O)C1N)CO
InChi:InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,6-/m1/s1
Synonyms:beta-D-glucosamine
Definition date:2000-06-20
Last modified:2024-09-27
Identifier:2-amino-2-deoxy-beta-D-glucopyranose
POL
POL
Name:N-PROPANOL
Formula:C3 H8 O
SMILES:OCCC
InChi:InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3
Synonyms:1-PROPONOL
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:propan-1-ol
POM
POM
Name:CIS-5-METHYL-4-OXOPROLINE
Formula:C6 H9 N O3
SMILES:O=C1C(NC(C(=O)O)C1)C
InChi:InChI=1S/C6H9NO3/c1-3-5(8)2-4(7-3)6(9)10/h3-4,7H,2H2,1H3,(H,9,10)/t3-,4-/m0/s1
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:(5S)-5-methyl-4-oxo-L-proline
POP
POP
Name:PYROPHOSPHATE 2-
Formula:H2 O7 P2
SMILES:[O-]P(=O)(O)OP([O-])(=O)O
InChi:InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-2
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:dihydrogen diphosphate
POS
POS
Name:1-[[(4-PHENOXYPHENYL)SULFONYL]AMINO]-3-[[N/N-(4-PYRIDINYLCARBONYL)-L-LEUCYL]AMINO]-2-PROPANOL
Formula:C27 H32 N4 O6 S
SMILES:O=C(NC(C(=O)NCC(O)CNS(=O)(=O)c2ccc(Oc1ccccc1)cc2)CC(C)C)c3ccncc3
InChi:InChI=1S/C27H32N4O6S/c1-19(2)16-25(31-26(33)20-12-14-28-15-13-20)27(34)29-17-21(32)18-30-38(35,36)24-10-8-23(9-11-24)37-22-6-4-3-5-7-22/h3-15,19,21,25,30,32H,16-18H2,1-2H3,(H,29,34)(H,31,33)/t21-,25+/m1/s1
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:N-[(2R)-2-hydroxy-3-{[(4-phenoxyphenyl)sulfonyl]amino}propyl]-N~2~-(pyridin-4-ylcarbonyl)-L-leucinamide
POT
POT
Name:(1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATE
Formula:C11 H16 Cl O3 P
SMILES:ClP(=O)(OC(COc1ccccc1)CC)C
InChi:InChI=1S/C11H16ClO3P/c1-3-10(15-16(2,12)13)9-14-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3/t10-,16+/m0/s1
Synonyms:(RP,SP)-O-(2S)-(1-PHENOXYBUT-2-YL)-METHYLPHOSPHONIC ACID CHLORIDE
Definition date:2006-11-20
Last modified:2024-09-27
Identifier:(1S)-1-(phenoxymethyl)propyl (R)-methylphosphonochloridoate
GD1
GD1
Name:2-amino-5-[(Z)-iminomethyl]-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
Formula:C7 H7 N5 O
SMILES:O=C1c2c(cnc2N=C(N)N1)C=[N@H]
InChi:InChI=1S/C7H7N5O/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5/h1-2,8H,(H4,9,10,11,12,13)/b8-1-
Synonyms:7-cyano-7-deazaguanine, bound form
Definition date:2012-05-25
Last modified:2024-09-27
Identifier:2-amino-5-[(Z)-iminomethyl]-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
GD7
GD7
Name:(1R)-1,2,2-TRIMETHYLPROPYL (R)-METHYLPHOSPHINATE
Formula:C7 H17 O2 P
SMILES:O=P(OC(C)C(C)(C)C)C
InChi:InChI=1S/C7H17O2P/c1-6(7(2,3)4)9-10(5)8/h6,10H,1-5H3/t6-/m1/s1
Definition date:2006-07-27
Last modified:2024-09-27
Identifier:(1R)-1,2,2-trimethylpropyl (R)-methylphosphinate

238582

数据于2025-07-09公开中

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