Loading
PDBj
English日本語简体中文繁體中文한국어
✖
ﾒﾆｭｰPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help
IIY
IIY
表記:(~{N}~{E})-2-acetamido-~{N}-prop-2-enylidene-ethanamide
組成式:C7 H10 N2 O2
SMILES:CC(=O)NCC(=O)N=CC=C
InChi:InChI=1S/C7H10N2O2/c1-3-4-8-7(11)5-9-6(2)10/h3-4H,1,5H2,2H3,(H,9,10)/b8-4+
定義日:2022-03-22
最終更新日:2022-11-18
公開日:2022-11-23
識別子（ID）:(~{N}~{E})-2-acetamido-~{N}-prop-2-enylidene-ethanamide
IJ3
IJ3
表記:(2~{S})-2-acetamido-~{N}-(3-bromanylpropyl)-3-methyl-butanamide
組成式:C10 H19 Br N2 O2
SMILES:CC(C)[CH](NC(C)=O)C(=O)NCCCBr
InChi:InChI=1S/C10H19BrN2O2/c1-7(2)9(13-8(3)14)10(15)12-6-4-5-11/h7,9H,4-6H2,1-3H3,(H,12,15)(H,13,14)/t9-/m0/s1
定義日:2022-03-22
最終更新日:2022-11-18
公開日:2022-11-23
識別子（ID）:(2~{S})-2-acetamido-~{N}-(3-bromanylpropyl)-3-methyl-butanamide
IJF
IJF
表記:(4-bromanylpyridin-2-yl)methanol
組成式:C6 H6 Br N O
SMILES:OCc1cc(Br)ccn1
InChi:InChI=1S/C6H6BrNO/c7-5-1-2-8-6(3-5)4-9/h1-3,9H,4H2
定義日:2022-03-22
最終更新日:2022-11-18
公開日:2022-11-23
識別子（ID）:(4-bromanylpyridin-2-yl)methanol
IJI
IJI
表記:(2~{S})-2-acetamido-5-carbamimidamido-~{N}-prop-2-enyl-pentanamide
組成式:C11 H19 N5 O2
SMILES:CC(=O)N[CH](CCCNC(N)=N)C(=O)N=CC=C
InChi:InChI=1S/C11H19N5O2/c1-3-6-14-10(18)9(16-8(2)17)5-4-7-15-11(12)13/h3,6,9H,1,4-5,7H2,2H3,(H,16,17)(H4,12,13,15)/b14-6-/t9-/m0/s1
定義日:2022-03-22
最終更新日:2022-11-18
公開日:2022-11-23
識別子（ID）:(2~{S})-2-acetamido-5-carbamimidamido-~{N}-prop-2-enylidene-pentanamide
IJL
IJL
表記:4-iodanylbenzamide
組成式:C7 H6 I N O
SMILES:NC(=O)c1ccc(I)cc1
InChi:InChI=1S/C7H6INO/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10)
定義日:2022-03-22
最終更新日:2022-11-18
公開日:2022-11-23
識別子（ID）:4-iodanylbenzamide
IJR
IJR
表記:(2~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)propanamide
組成式:C8 H11 Br N2 O2
SMILES:C[CH](NC(C)=O)C(=O)NCC#CBr
InChi:InChI=1S/C8H11BrN2O2/c1-6(11-7(2)12)8(13)10-5-3-4-9/h6H,5H2,1-2H3,(H,10,13)(H,11,12)/t6-/m0/s1
定義日:2022-03-22
最終更新日:2022-11-18
公開日:2022-11-23
識別子（ID）:(2~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)propanamide
IK3
IK3
表記:(2~{S})-2-acetamido-3-(4-hydroxyphenyl)-~{N}-prop-2-enyl-propanamide
組成式:C14 H18 N2 O3
SMILES:CC(=O)N[CH](Cc1ccc(O)cc1)C(=O)NCC=C
InChi:InChI=1S/C14H18N2O3/c1-3-8-15-14(19)13(16-10(2)17)9-11-4-6-12(18)7-5-11/h3-7,13,18H,1,8-9H2,2H3,(H,15,19)(H,16,17)/t13-/m0/s1
定義日:2022-03-22
最終更新日:2022-11-18
公開日:2022-11-23
識別子（ID）:(2~{S})-2-acetamido-3-(4-hydroxyphenyl)-~{N}-prop-2-enyl-propanamide
IS0
IS0
表記:4-bromanyl-1,2-dimethoxy-benzene
組成式:C8 H9 Br O2
SMILES:COc1ccc(Br)cc1OC
InChi:InChI=1S/C8H9BrO2/c1-10-7-4-3-6(9)5-8(7)11-2/h3-5H,1-2H3
定義日:2022-04-11
最終更新日:2022-11-18
公開日:2022-11-23
識別子（ID）:4-bromanyl-1,2-dimethoxy-benzene
IS6
IS6
表記:(2R)-N-(3-bromanylprop-2-ynyl)-1-ethanoyl-pyrrolidine-2-carboxamide
組成式:C10 H13 Br N2 O2
SMILES:CC(=O)N1CCC[CH]1C(=O)NCC#CBr
InChi:InChI=1S/C10H13BrN2O2/c1-8(14)13-7-2-4-9(13)10(15)12-6-3-5-11/h9H,2,4,6-7H2,1H3,(H,12,15)/t9-/m1/s1
定義日:2022-04-12
最終更新日:2022-11-18
公開日:2022-11-23
識別子（ID）:(2~{R})-~{N}-(3-bromanylprop-2-ynyl)-1-ethanoyl-pyrrolidine-2-carboxamide
IT4
IT4
表記:4-bromanyl-2-oxidanyl-benzoic acid
組成式:C7 H5 Br O3
SMILES:OC(=O)c1ccc(Br)cc1O
InChi:InChI=1S/C7H5BrO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,(H,10,11)
定義日:2022-04-11
最終更新日:2022-11-18
公開日:2022-11-23
識別子（ID）:4-bromanyl-2-oxidanyl-benzoic acid
IT8
IT8
表記:(2R)-2-acetamido-N-(3-bromanylprop-2-ynyl)-3-methyl-butanamide
組成式:C10 H15 Br N2 O2
SMILES:CC(C)[CH](NC(C)=O)C(=O)NCC#CBr
InChi:InChI=1S/C10H15BrN2O2/c1-7(2)9(13-8(3)14)10(15)12-6-4-5-11/h7,9H,6H2,1-3H3,(H,12,15)(H,13,14)/t9-/m1/s1
定義日:2022-04-12
最終更新日:2022-11-18
公開日:2022-11-23
識別子（ID）:(2~{R})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)-3-methyl-butanamide
IV1
IV1
表記:(1R,3S,5Z)-5-[(E)-3-[3,5-bis(6-methyl-6-oxidanyl-heptyl)phenyl]prop-2-enylidene]-4-methylidene-cyclohexane-1,3-diol
組成式:C32 H50 O4
SMILES:CC(C)(O)CCCCCc1cc(CCCCCC(C)(C)O)cc(C=CC=C2C[CH](O)C[CH](O)C2=C)c1
InChi:InChI=1S/C32H50O4/c1-24-28(22-29(33)23-30(24)34)16-12-15-27-20-25(13-8-6-10-17-31(2,3)35)19-26(21-27)14-9-7-11-18-32(4,5)36/h12,15-16,19-21,29-30,33-36H,1,6-11,13-14,17-18,22-23H2,2-5H3/b15-12+,28-16-/t29-,30+/m1/s1
定義日:2022-04-13
最終更新日:2022-11-18
公開日:2022-11-23
識別子（ID）:(1~{R},3~{S},5~{Z})-5-[(~{E})-3-[3,5-bis(6-methyl-6-oxidanyl-heptyl)phenyl]prop-2-enylidene]-4-methylidene-cyclohexane-1,3-diol
IV5
IV5
表記:(1R,3S,5Z)-4-methylidene-5-[(E)-9-methyl-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]-9-oxidanyl-dec-2-enylidene]cyclohexane-1,3-diol
組成式:C32 H50 O4
SMILES:CC(C)(O)CCCCCc1cccc(c1)C(CCCCCC(C)(C)O)=CC=C2C[CH](O)C[CH](O)C2=C
InChi:InChI=1S/C32H50O4/c1-24-27(22-29(33)23-30(24)34)18-17-26(15-9-7-11-20-32(4,5)36)28-16-12-14-25(21-28)13-8-6-10-19-31(2,3)35/h12,14,16-18,21,29-30,33-36H,1,6-11,13,15,19-20,22-23H2,2-5H3/b26-17+,27-18-/t29-,30+/m1/s1
定義日:2022-04-13
最終更新日:2022-11-18
公開日:2022-11-23
識別子（ID）:(1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-9-methyl-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]-9-oxidanyl-dec-2-enylidene]cyclohexane-1,3-diol
JVF
JVF
表記:~{N}-[2-(diethylamino)ethyl]-2-sulfanyl-benzamide
組成式:C13 H20 N2 O S
SMILES:CCN(CC)CCNC(=O)c1ccccc1S
InChi:InChI=1S/C13H20N2OS/c1-3-15(4-2)10-9-14-13(16)11-7-5-6-8-12(11)17/h5-8,17H,3-4,9-10H2,1-2H3,(H,14,16)
定義日:2021-12-23
最終更新日:2022-11-18
公開日:2022-11-23
識別子（ID）:~{N}-[2-(diethylamino)ethyl]-2-sulfanyl-benzamide
JY6
JY6
表記:(3~{Z})-3-(3-oxidanylidene-1~{H}-indol-2-ylidene)-1~{H}-indol-2-one
組成式:C16 H10 N2 O2
SMILES:O=C1Nc2ccccc2C1=C3Nc4ccccc4C3=O
InChi:InChI=1S/C16H10N2O2/c19-15-10-6-2-4-8-12(10)17-14(15)13-9-5-1-3-7-11(9)18-16(13)20/h1-8,17H,(H,18,20)/b14-13-
別名:indirubin
定義日:2022-05-16
最終更新日:2022-11-18
公開日:2022-11-23
識別子（ID）:(3~{Z})-3-(3-oxidanylidene-1~{H}-indol-2-ylidene)-1~{H}-indol-2-one
K9I
K9I
表記:(3R,4S,7S,9S,11S)-3,4,11-trihydroxy-7-((R,Z)-4-(hydroxymethyl)hex-2-en-2-yl)-9-methoxy-12,12-dimethyl-6-oxa-1(1,3)-benzenacyclododecaphan-5-one
組成式:C26 H40 O7
SMILES:CC[CH](CO)C=C(C)[CH]1C[CH](C[CH](O)C(C)(C)c2cccc(C[CH](O)[CH](O)C(=O)O1)c2)OC
InChi:InChI=1S/C26H40O7/c1-6-17(15-27)10-16(2)22-13-20(32-5)14-23(29)26(3,4)19-9-7-8-18(11-19)12-21(28)24(30)25(31)33-22/h7-11,17,20-24,27-30H,6,12-15H2,1-5H3/b16-10-/t17-,20-,21-,22+,23+,24+/m1/s1
定義日:2022-05-23
最終更新日:2022-11-18
公開日:2022-11-23
識別子（ID）:(3~{R},4~{S},7~{S},9~{S},11~{S})-7-[(~{Z},4~{R})-4-(hydroxymethyl)hex-2-en-2-yl]-9-methoxy-12,12-dimethyl-3,4,11-tris(oxidanyl)-6-oxabicyclo[11.3.1]heptadeca-1(17),13,15-trien-5-one
0IE
0IE
表記:Siphonaxanthin
組成式:C40 H56 O4
SMILES:CC1=C(CC(=O)C(CO)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=C[CH]2C(=C[CH](O)CC2(C)C)C)C(C)(C)C[CH](O)C1
InChi:InChI=1S/C40H56O4/c1-28(16-12-17-30(3)20-21-36-31(4)22-34(42)25-39(36,6)7)14-10-11-15-29(2)18-13-19-33(27-41)38(44)24-37-32(5)23-35(43)26-40(37,8)9/h10-22,34-36,41-43H,23-27H2,1-9H3/b11-10+,16-12+,18-13+,21-20+,28-14+,29-15+,30-17+,33-19+/t34-,35+,36-/m0/s1
定義日:2022-01-21
最終更新日:2022-11-18
公開日:2022-11-23
識別子（ID）:(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3-(hydroxymethyl)-7,12,16-trimethyl-18-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]-1-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-3,5,7,9,11,13,15,17-octaen-2-one
0UR
0UR
表記:Siphonein
組成式:C52 H76 O5
SMILES:CCCCCCCCCC=CC(=O)OCC(=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=C[CH]1C(=C[CH](O)CC1(C)C)C)C(=O)CC2=C(C)C[CH](O)CC2(C)C
InChi:InChI=1S/C52H76O5/c1-11-12-13-14-15-16-17-18-19-30-50(56)57-38-44(49(55)35-48-43(6)34-46(54)37-52(48,9)10)29-23-28-40(3)25-21-20-24-39(2)26-22-27-41(4)31-32-47-42(5)33-45(53)36-51(47,7)8/h19-33,45-47,53-54H,11-18,34-38H2,1-10H3/b21-20+,26-22+,28-23+,30-19-,32-31+,39-24+,40-25+,41-27+,44-29+/t45-,46+,47-/m0/s1
定義日:2022-01-21
最終更新日:2022-11-18
公開日:2022-11-23
識別子（ID）:[(2~{E},4~{E},6~{E},8~{E},10~{E},12~{E},14~{E},16~{E})-6,11,15-trimethyl-17-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]-2-[2-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]ethanoyl]heptadeca-2,4,6,8,10,12,14,16-octaenyl] (~{Z})-dodec-2-enoate
KA9
KA9
表記:1,3-dimethyl-5-[[6-(phenylmethylsulfanyl)pyrimidin-4-yl]amino]benzimidazol-2-one
組成式:C20 H19 N5 O S
SMILES:CN1C(=O)N(C)c2cc(Nc3cc(SCc4ccccc4)ncn3)ccc12
InChi:InChI=1S/C20H19N5OS/c1-24-16-9-8-15(10-17(16)25(2)20(24)26)23-18-11-19(22-13-21-18)27-12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3,(H,21,22,23)
定義日:2022-05-23
最終更新日:2022-11-11
公開日:2022-11-16
識別子（ID）:1,3-dimethyl-5-[[6-(phenylmethylsulfanyl)pyrimidin-4-yl]amino]benzimidazol-2-one
KCB
KCB
表記:(5~{S},7~{R})-5-(4-chlorophenyl)-7-(2,3,4-trimethoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
組成式:C20 H21 Cl N4 O3
SMILES:COc1ccc([CH]2C[CH](Nc3ncnn23)c4ccc(Cl)cc4)c(OC)c1OC
InChi:InChI=1S/C20H21ClN4O3/c1-26-17-9-8-14(18(27-2)19(17)28-3)16-10-15(12-4-6-13(21)7-5-12)24-20-22-11-23-25(16)20/h4-9,11,15-16H,10H2,1-3H3,(H,22,23,24)/t15-,16+/m0/s1
定義日:2022-05-23
最終更新日:2022-11-11
公開日:2022-11-16
識別子（ID）:(5~{S},7~{R})-5-(4-chlorophenyl)-7-(2,3,4-trimethoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
M5U
M5U
表記:dimethyl 2,2'-((12Z,122Z,4S,6Z,8E,10E,15S,17Z,19E,21E)-2,13-dioxo-3,14-dioxa-1(4,2),12(2,4)-dioxazolacyclodocosaphane-6,8,10,17,19,21-hexaene-4,15-diyl)(2S,2'S,3S,3'S,4E,4'E)-bis(3-hydroxyhex-4-enoate)
組成式:C38 H42 N2 O12
SMILES:COC(=O)[CH]([CH](O)C=CC)[CH]1CC=CC=CC=Cc2occ(n2)C(=O)O[CH](CC=CC=CC=Cc3occ(n3)C(=O)O1)[CH]([CH](O)C=CC)C(=O)OC
InChi:InChI=1S/C38H42N2O12/c1-5-17-27(41)33(37(45)47-3)29-19-13-9-7-11-15-22-32-40-26(24-50-32)36(44)52-30(34(38(46)48-4)28(42)18-6-2)20-14-10-8-12-16-21-31-39-25(23-49-31)35(43)51-29/h5-18,21-24,27-30,33-34,41-42H,19-20H2,1-4H3/b11-7+,12-8+,13-9-,14-10-,17-5+,18-6+,21-16+,22-15+/t27-,28-,29-,30-,33-,34-/m0/s1
別名:methyl (E,2S,3S)-2-[(4S,6Z,8E,10E,18S,20Z,22E,24E)-18-[(E,2S,3S)-1-methoxy-3-oxidanyl-1-oxidanylidene-hex-4-en-2-yl]-2,16-bis(oxidanylidene)-3,13,17,27-tetraoxa-29,30-diazatricyclo[24.2.1.1^{12,15}]triaconta-1(28),6,8,10,12(30),14,20,22,24,26(29)-decaen-4-yl]-3-oxidanyl-hex-4-enoate
定義日:2022-07-22
最終更新日:2022-11-11
公開日:2022-11-16
識別子（ID）:methyl (~{E},2~{S},3~{S})-2-[(4~{S},6~{Z},8~{E},10~{E},18~{S},20~{Z},22~{E},24~{E})-18-[(~{E},2~{S},3~{S})-1-methoxy-3-oxidanyl-1-oxidanylidene-hex-4-en-2-yl]-2,16-bis(oxidanylidene)-3,13,17,27-tetraoxa-29,30-diazatricyclo[24.2.1.1^{12,15}]triaconta-1(28),6,8,10,12(30),14,20,22,24,26(29)-decaen-4-yl]-3-oxidanyl-hex-4-enoate
PW0
PW0
表記:(~{Z})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]pent-2-enedioic acid
組成式:C13 H17 N2 O9 P
SMILES:Cc1ncc(CO[P](O)(O)=O)c(CN=C(CCC(O)=O)C(O)=O)c1O
InChi:InChI=1S/C13H17N2O9P/c1-7-12(18)9(8(4-14-7)6-24-25(21,22)23)5-15-10(13(19)20)2-3-11(16)17/h4,18H,2-3,5-6H2,1H3,(H,16,17)(H,19,20)(H2,21,22,23)
定義日:2022-10-05
最終更新日:2022-11-11
公開日:2022-11-16
識別子（ID）:2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylimino]pentanedioic acid
M7L
M7L
表記:3-azanyloxy-2-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]propanoic acid
組成式:C11 H16 N3 O8 P
SMILES:Cc1ncc(CO[P](O)(O)=O)c(CN=C(CON)C(O)=O)c1O
InChi:InChI=1S/C11H16N3O8P/c1-6-10(15)8(3-14-9(5-21-12)11(16)17)7(2-13-6)4-22-23(18,19)20/h2,15H,3-5,12H2,1H3,(H,16,17)(H2,18,19,20)/b14-9+
定義日:2022-07-26
最終更新日:2022-11-11
公開日:2022-11-16
識別子（ID）:(2~{E})-3-azanyloxy-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylimino]propanoic acid
NV6
NV6
表記:(2~{S})-2-(aminocarbonylamino)-3-(4-hydroxyphenyl)propanoic acid
組成式:C10 H12 N2 O4
SMILES:NC(=O)N[CH](Cc1ccc(O)cc1)C(O)=O
InChi:InChI=1S/C10H12N2O4/c11-10(16)12-8(9(14)15)5-6-1-3-7(13)4-2-6/h1-4,8,13H,5H2,(H,14,15)(H3,11,12,16)/t8-/m0/s1
定義日:2022-08-23
最終更新日:2022-11-11
公開日:2022-11-16
識別子（ID）:(2~{S})-2-(aminocarbonylamino)-3-(4-hydroxyphenyl)propanoic acid
OCF
OCF
表記:3-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]oxypropanoic acid
組成式:C11 H15 N2 O8 P
SMILES:Cc1ncc(CO[P](O)(O)=O)c(C=NOCCC(O)=O)c1O
InChi:InChI=1S/C11H15N2O8P/c1-7-11(16)9(5-13-20-3-2-10(14)15)8(4-12-7)6-21-22(17,18)19/h4-5,16H,2-3,6H2,1H3,(H,14,15)(H2,17,18,19)/b13-5+
別名:PYRIDOXAMINE-5'-PHOSPHATE linked to 3-aminooxypropionic acid
定義日:2022-09-04
最終更新日:2022-11-11
公開日:2022-11-16
識別子（ID）:3-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]oxypropanoic acid

243531

件を2025-10-22に公開中

PDB statisticsPDBj update infoContact PDBjnumon