 | | EMO | | 表記: | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | | 組成式: | C15 H10 O5 | | SMILES: | O=C2c1c(O)cc(cc1C(=O)c3c2c(O)cc(O)c3)C | | InChi: | InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3 | | 別名: | EMODIN | | 定義日: | 2000-05-24 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 1,3,8-trihydroxy-6-methylanthracene-9,10-dione |
|
 | | ENS | | 表記: | methyl
(2Z)-3-[(3-chloro-1H-indol-7-yl)amino]-2-cyano-3-{[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]amino}acrylate | | 組成式: | C25 H29 Cl N6 O4 | | SMILES: | N#C/C(C(=O)OC)=C(NC2C(=O)N(CC(=O)N1CCCC1)CCCC2)Nc3cccc4c3ncc4Cl | | InChi: | InChI=1S/C25H29ClN6O4/c1-36-25(35)17(13-27)23(29-19-9-6-7-16-18(26)14-28-22(16)19)30-20-8-2-3-12-32(24(20)34)15-21(33)31-10-4-5-11-31/h6-7,9,14,20,28-30H,2-5,8,10-12,15H2,1H3/b23-17+/t20-/m0/s1 | | 別名: | methyl
(2Z)-3-[(3-chloro-1H-indol-7-yl)amino]-2-cyano-3-{[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]amino}prop-2-e
noate | | 定義日: | 2008-09-29 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | methyl (2Z)-3-[(3-chloro-1H-indol-7-yl)amino]-2-cyano-3-{[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]amino}prop-2-enoate |
|
 | | ENV | | 表記: | (2R)-N-{3-[(5-fluoro-4-oxopentyl)amino]-3-oxopropyl}-2,4-dihydroxy-3,3-dimethylbutanamide | | 組成式: | C14 H25 F N2 O5 | | SMILES: | O=C(NCCC(=O)NCCCC(=O)CF)C(O)C(C)(C)CO | | InChi: | InChI=1S/C14H25FN2O5/c1-14(2,9-18)12(21)13(22)17-7-5-11(20)16-6-3-4-10(19)8-15/h12,18,21H,3-9H2,1-2H3,(H,16,20)(H,17,22)/t12-/m0/s1 | | 別名: | Fluoroacetyl carba(dethia)-pantetheine | | 定義日: | 2009-12-16 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | (2R)-N-{3-[(5-fluoro-4-oxopentyl)amino]-3-oxopropyl}-2,4-dihydroxy-3,3-dimethylbutanamide |
|
 | | ENW | | 表記: | 2-({N-[(2S)-2,4-dihydroxy-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl fluoroacetate | | 組成式: | C13 H23 F N2 O6 | | SMILES: | O=C(OCCNC(=O)CCNC(=O)C(O)C(C)(C)CO)CF | | InChi: | InChI=1S/C13H23FN2O6/c1-13(2,8-17)11(20)12(21)16-4-3-9(18)15-5-6-22-10(19)7-14/h11,17,20H,3-8H2,1-2H3,(H,15,18)(H,16,21)/t11-/m1/s1 | | 別名: | Fluoroacetyl oxa(dethia)-pantetheine | | 定義日: | 2009-12-17 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 2-({N-[(2S)-2,4-dihydroxy-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl fluoroacetate |
|
 | | EO5 | | 表記: | ~{N}-[3-[4-[[(1~{S})-1-(5-methyl-4-oxidanylidene-3-phenyl-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl]amino]-7~{H}-pyrrolo[
2,3-d]pyrimidin-5-yl]-5-oxidanyl-phenyl]methanesulfonamide | | 組成式: | C28 H26 N8 O4 S | | SMILES: | C[CH](Nc1ncnc2[nH]cc(c3cc(O)cc(N[S](C)(=O)=O)c3)c12)C4=Nn5ccc(C)c5C(=O)N4c6ccccc6 | | InChi: | InChI=1S/C28H26N8O4S/c1-16-9-10-35-24(16)28(38)36(20-7-5-4-6-8-20)27(33-35)17(2)32-26-23-22(14-29-25(23)30-15-31-26)18-11-19(13-21(37)12-18)34-41(3,39)40/h4-15,17,34,37H,1-3H3,(H2,29,30,31,32)/t17-/m0/s1 | | 別名: | LASW1976 | | 定義日: | 2018-04-03 | | 最終更新日: | 2020-06-17 | | 公開日: | 2018-11-07 | | 識別子（ID）: | ~{N}-[3-[4-[[(1~{S})-1-(5-methyl-4-oxidanylidene-3-phenyl-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-5-oxidanyl-phenyl]methanesulfonamide |
|
 | | EOP | | 表記: | {ETHANE-1,2-DIYLBIS[IMINO(2-OXOETHANE-2,1-DIYL)]}BIS(PHOSPHONIC ACID) | | 組成式: | C6 H14 N2 O8 P2 | | SMILES: | O=C(NCCNC(=O)CP(=O)(O)O)CP(=O)(O)O | | InChi: | InChI=1S/C6H14N2O8P2/c9-5(3-17(11,12)13)7-1-2-8-6(10)4-18(14,15)16/h1-4H2,(H,7,9)(H,8,10)(H2,11,12,13)(H2,14,15,16) | | 別名: | 2,2'-(ETHANE-1,2-DIYLBIS(AZANEDIYL))BIS(2-OXOETHANE-2,1DIYL)DIPHOSPHONIC ACID | | 定義日: | 2006-02-17 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | {ethane-1,2-diylbis[imino(2-oxoethane-2,1-diyl)]}bis(phosphonic acid) |
|
 | | EP0 | | 表記: | N-[(3R)-4-ethoxy-3-hydroxy-4-oxobutanoyl]-L-isoleucyl-L-proline | | 組成式: | C17 H28 N2 O7 | | SMILES: | O=C(O)C1N(C(=O)C(NC(=O)CC(O)C(=O)OCC)C(C)CC)CCC1 | | InChi: | InChI=1S/C17H28N2O7/c1-4-10(3)14(15(22)19-8-6-7-11(19)16(23)24)18-13(21)9-12(20)17(25)26-5-2/h10-12,14,20H,4-9H2,1-3H3,(H,18,21)(H,23,24)/t10-,11-,12+,14-/m0/s1 | | 別名: | epoxy succinyl inhibitor | | 定義日: | 2008-03-25 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | N-[(3R)-4-ethoxy-3-hydroxy-4-oxobutanoyl]-L-isoleucyl-L-proline |
|
 | | EPE | | 表記: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID | | 組成式: | C8 H18 N2 O4 S | | SMILES: | O=S(=O)(O)CCN1CCN(CCO)CC1 | | InChi: | InChI=1S/C8H18N2O4S/c11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14/h11H,1-8H2,(H,12,13,14) | | 別名: | HEPES | | 定義日: | 1999-07-08 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid |
|
 | | EPS | | 表記: | 5-[(1-CARBOXYVINYL)OXY]-4-HYDROXY-3-(PHOSPHONOOXY)CYCLOHEX-1-ENE-1-CARBOXYLIC ACID | | 組成式: | C10 H13 O10 P | | SMILES: | O=C(O)C1=CC(OP(=O)(O)O)C(O)C(O/C(C(=O)O)=C)C1 | | InChi: | InChI=1S/C10H13O10P/c1-4(9(12)13)19-6-2-5(10(14)15)3-7(8(6)11)20-21(16,17)18/h3,6-8,11H,1-2H2,(H,12,13)(H,14,15)(H2,16,17,18)/t6-,7-,8+/m1/s1 | | 別名: | 5-ENOLPYRUVYLSHIKIMATE-3-PHOSPHATE | | 定義日: | 2003-09-15 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | (3R,4S,5R)-5-[(1-carboxyethenyl)oxy]-4-hydroxy-3-(phosphonooxy)cyclohex-1-ene-1-carboxylic acid |
|
 | | EPU | | 表記: | URIDINE-DIPHOSPHATE-2(N-ACETYLGLUCOSAMINYL) BUTYRIC ACID | | 組成式: | C20 H29 N3 O19 P2 | | SMILES: | O=P(OC1OC(C(O)C(O/C(=C)C(=O)O)C1NC(=O)C)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O | | InChi: | InChI=1S/C20H29N3O19P2/c1-7(18(30)31)38-16-12(21-8(2)25)19(40-9(5-24)14(16)28)41-44(35,36)42-43(33,34)37-6-10-13(27)15(29)17(39-10)23-4-3-11(26)22-20(23)32/h3-4,9-10,12-17,19,24,27-29H,1,5-6H2,2H3,(H,21,25)(H,30,31)(H,33,34)(H,35,36)(H,22,26,32)/t9-,10-,12-,13-,14-,15-,16-,17-,19-/m1/s1 | | 別名: | ENOLPYRUVYL-URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE | | 定義日: | 1999-07-08 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 2-{[(2R,3R,4R,5S,6R)-3-(acetylamino)-2-{[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}prop-2-enoic acid (non-preferred name) |
|
 | | EQB | | 表記: | (2~{S},3~{S})-3-methyl-2-[(1~{R})-2-[[(2~{S})-3-methyl-1-[[(2~{S})-3-methyl-1-oxidanylidene-1-phenylmethoxy-butan-2-yl]
amino]-1-oxidanylidene-butan-2-yl]amino]-1-oxidanyl-2-oxidanylidene-ethyl]pentanoic acid | | 組成式: | C25 H38 N2 O7 | | SMILES: | CC[CH](C)[CH]([CH](O)C(=O)N[CH](C(C)C)C(=O)N[CH](C(C)C)C(=O)OCc1ccccc1)C(O)=O | | InChi: | InChI=1S/C25H38N2O7/c1-7-16(6)18(24(31)32)21(28)23(30)26-19(14(2)3)22(29)27-20(15(4)5)25(33)34-13-17-11-9-8-10-12-17/h8-12,14-16,18-21,28H,7,13H2,1-6H3,(H,26,30)(H,27,29)(H,31,32)/t16-,18-,19-,20-,21+/m0/s1 | | 別名: | Cystargolide B Derivative | | 定義日: | 2018-04-09 | | 最終更新日: | 2020-06-17 | | 公開日: | 2018-09-12 | | 識別子（ID）: | (2~{S},3~{S})-3-methyl-2-[(1~{R})-2-[[(2~{S})-3-methyl-1-[[(2~{S})-3-methyl-1-oxidanylidene-1-phenylmethoxy-butan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-1-oxidanyl-2-oxidanylidene-ethyl]pentanoic acid |
|
 | | 7KP | | 表記: | (2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[3-[(~{E})-2-(4-hydroxyphenyl)ethenyl]-5-oxidanyl-phenoxy]oxane-3,4
,5-triol | | 組成式: | C20 H22 O8 | | SMILES: | OC[CH]1O[CH](Oc2cc(O)cc(C=Cc3ccc(O)cc3)c2)[CH](O)[CH](O)[CH]1O | | InChi: | InChI=1S/C20H22O8/c21-10-16-17(24)18(25)19(26)20(28-16)27-15-8-12(7-14(23)9-15)2-1-11-3-5-13(22)6-4-11/h1-9,16-26H,10H2/b2-1+/t16-,17-,18+,19-,20+/m1/s1 | | 別名: | glycosylated resveratrol | | 定義日: | 2016-11-05 | | 最終更新日: | 2020-06-17 | | 公開日: | 2017-12-20 | | 識別子（ID）: | (2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[3-[(~{E})-2-(4-hydroxyphenyl)ethenyl]-5-oxidanyl-phenoxy]oxane-3,4,5-triol |
|
 | | 7LB | | 表記: | (E,2S)-N-methyl-5-(5-phenoxy-3-pyridyl)pent-4-en-2-amine | | 組成式: | C17 H20 N2 O | | SMILES: | CNC(C[C@H]=Cc1cncc(c1)Oc2ccccc2)C | | InChi: | InChI=1S/C17H20N2O/c1-14(18-2)7-6-8-15-11-17(13-19-12-15)20-16-9-4-3-5-10-16/h3-6,8-14,18H,7H2,1-2H3/b8-6+/t14-/m0/s1 | | 別名: | (2S,4E)-N-methyl-5-(5-phenoxypyridin-3-yl)pent-4-en-2-amine | | 定義日: | 2016-11-09 | | 最終更新日: | 2020-06-17 | | 公開日: | 2016-11-30 | | 識別子（ID）: | (2S,4E)-N-methyl-5-(5-phenoxypyridin-3-yl)pent-4-en-2-amine |
|
 | | 7MI | | 表記: | methyl
(2S,4aR,4bS,5S,6aS,10aS,10bS,12aS)-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-5-oxidanyl-1,4,6,8-tetrakis(oxidanylidene)
-5,6a,9,10,10b,11-hexahydro-4aH-naphtho[1,2-h]isochromene-2-carboxylate | | 組成式: | C26 H34 O8 | | SMILES: | COC(=O)[C]1(C)OC(=O)[CH]2[C]3(C)[CH](O)C(=O)[CH]4C(C)(C)C(=O)CC[C]4(C)[CH]3CC(=C)[C]2(C)C1=O | | InChi: | InChI=1S/C26H34O8/c1-12-11-13-23(4)10-9-14(27)22(2,3)16(23)15(28)18(29)25(13,6)17-19(30)34-26(7,21(32)33-8)20(31)24(12,17)5/h13,16-18,29H,1,9-11H2,2-8H3/t13-,16+,17-,18+,23-,24+,25-,26-/m0/s1 | | 別名: | methyl
(2S,4aR,4bS,5S,6aS,10aS,10bS,12aS)-5-hydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylene-1,4,6,8-tetraoxohexadecahydro-2H-n
aphtho[1,2-h]isochromene-2-carboxylate | | 定義日: | 2016-12-06 | | 最終更新日: | 2020-06-17 | | 公開日: | 2017-07-26 | | 識別子（ID）: | methyl (2~{S},4~{a}~{R},4~{b}~{S},5~{S},6~{a}~{S},10~{a}~{S},10~{b}~{S},12~{a}~{S})-2,4~{b},7,7,10~{a},12~{a}-hexamethyl-12-methylidene-5-oxidanyl-1,4,6,8-tetrakis(oxidanylidene)-5,6~{a},9,10,10~{b},11-hexahydro-4~{a}~{H}-naphtho[1,2-h]isochromene-2-carboxylate |
|
 | | 7NP | | 表記: | (2S)-7-methoxy-2-methyl-3,4-dihydronaphthalen-1(2H)-one | | 組成式: | C12 H14 O2 | | SMILES: | O=C2c1c(ccc(OC)c1)CCC2C | | InChi: | InChI=1S/C12H14O2/c1-8-3-4-9-5-6-10(14-2)7-11(9)12(8)13/h5-8H,3-4H2,1-2H3/t8-/m0/s1 | | 別名: | Bound form of 7-METHOXY-2-(PIPERIDIN-1-YLMETHYL)-3,4-DIHYDRONAPHTHALEN-1(2H)-ONE HYDROCHLORDIDE | | 定義日: | 2014-06-09 | | 最終更新日: | 2020-06-17 | | 公開日: | 2014-07-23 | | 識別子（ID）: | (2S)-7-methoxy-2-methyl-3,4-dihydronaphthalen-1(2H)-one |
|
 | | 7PP | | 表記: | 5-{2-amino-4-chloro-7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-methylpent-4-yn-2
-ol | | 組成式: | C21 H24 Cl N5 O2 | | SMILES: | Clc1nc(nc2c1c(C#CCC(O)(C)C)cn2Cc3ncc(c(OC)c3C)C)N | | InChi: | InChI=1S/C21H24ClN5O2/c1-12-9-24-15(13(2)17(12)29-5)11-27-10-14(7-6-8-21(3,4)28)16-18(22)25-20(23)26-19(16)27/h9-10,28H,8,11H2,1-5H3,(H2,23,25,26) | | 別名: | EC44 | | 定義日: | 2010-06-25 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 5-{2-amino-4-chloro-7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-methylpent-4-yn-2-ol |
|
 | | 7PT | | 表記: | pentalenolactone | | 組成式: | C15 H16 O5 | | SMILES: | C1(C4C3(C=C1C)C2(OC2)C(=O)OCC3C(=C4)C(O)=O)C | | InChi: | InChI=1S/C15H16O5/c1-7-4-14-10(8(7)2)3-9(12(16)17)11(14)5-19-13(18)15(14)6-20-15/h3-4,8,10-11H,5-6H2,1-2H3,(H,16,17)/t8-,10-,11+,14-,15-/m1/s1 | | 別名: | (2R,4a'S,7'S,7a'R,9a'R)-6',7'-dimethyl-3'-oxo-1',7',7a',9a'-tetrahydro-3'H-spiro[oxirane-2,4'-pentaleno[1,6a-c]pyran]-9
'-carboxylic acid | | 定義日: | 2016-08-04 | | 最終更新日: | 2020-06-17 | | 公開日: | 2016-09-14 | | 識別子（ID）: | (2R,4a'S,7'S,7a'R,9a'R)-6',7'-dimethyl-3'-oxo-1',7',7a',9a'-tetrahydro-3'H-spiro[oxirane-2,4'-pentaleno[1,6a-c]pyran]-9'-carboxylic acid |
|
 | | 7RS | | 表記: | N~2~-(3,4-difluorophenyl)-N-{2-methyl-5-[(piperazin-1-yl)methyl]phenyl}glycinamide | | 組成式: | C20 H24 F2 N4 O | | SMILES: | C3N(Cc1cc(c(C)cc1)NC(=O)CNc2ccc(c(c2)F)F)CCNC3 | | InChi: | InChI=1S/C20H24F2N4O/c1-14-2-3-15(13-26-8-6-23-7-9-26)10-19(14)25-20(27)12-24-16-4-5-17(21)18(22)11-16/h2-5,10-11,23-24H,6-9,12-13H2,1H3,(H,25,27) | | 別名: | antagonist GW791343 | | 定義日: | 2016-12-02 | | 最終更新日: | 2020-06-17 | | 公開日: | 2017-01-04 | | 識別子（ID）: | N~2~-(3,4-difluorophenyl)-N-{2-methyl-5-[(piperazin-1-yl)methyl]phenyl}glycinamide |
|
 | | 7RV | | 表記: | N-{[4-(4-phenylpiperazin-1-yl)oxan-4-yl]methyl}-2-(phenylsulfanyl)pyridine-3-carboxamide | | 組成式: | C28 H32 N4 O2 S | | SMILES: | C1COCCC1(CNC(=O)c2cccnc2Sc3ccccc3)N4CCN(CC4)c5ccccc5 | | InChi: | InChI=1S/C28H32N4O2S/c33-26(25-12-7-15-29-27(25)35-24-10-5-2-6-11-24)30-22-28(13-20-34-21-14-28)32-18-16-31(17-19-32)23-8-3-1-4-9-23/h1-12,15H,13-14,16-22H2,(H,30,33) | | 別名: | antagonist JNJ47965567 | | 定義日: | 2016-12-02 | | 最終更新日: | 2020-06-17 | | 公開日: | 2017-01-04 | | 識別子（ID）: | N-{[4-(4-phenylpiperazin-1-yl)oxan-4-yl]methyl}-2-(phenylsulfanyl)pyridine-3-carboxamide |
|
 | | 7RY | | 表記: | N-[2-({2-[(2-hydroxyethyl)amino]ethyl}amino)quinolin-5-yl]-2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]acetamide | | 組成式: | C25 H34 N4 O2 | | SMILES: | C(Nc5ccc1c(cccc1NC(CC43CC2CC(CC(C2)C3)C4)=O)n5)CNCCO | | InChi: | InChI=1S/C25H34N4O2/c30-9-8-26-6-7-27-23-5-4-20-21(28-23)2-1-3-22(20)29-24(31)16-25-13-17-10-18(14-25)12-19(11-17)15-25/h1-5,17-19,26,30H,6-16H2,(H,27,28)(H,29,31)/t17-,18+,19-,25- | | 別名: | antagonist AZ10606120 | | 定義日: | 2016-12-02 | | 最終更新日: | 2020-06-17 | | 公開日: | 2017-01-04 | | 識別子（ID）: | N-[2-({2-[(2-hydroxyethyl)amino]ethyl}amino)quinolin-5-yl]-2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]acetamide |
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 | | 7WF | | 表記: | 2-hydroxy-3-[4-(2-hydroxy-3-sulfopropyl)piperazin-1-yl]propane-1-sulfonic acid | | 組成式: | C10 H22 N2 O8 S2 | | SMILES: | O[CH](CN1CCN(CC1)CC(O)C[S](O)(=O)=O)C[S](O)(=O)=O | | InChi: | InChI=1S/C10H22N2O8S2/c13-9(7-21(15,16)17)5-11-1-2-12(4-3-11)6-10(14)8-22(18,19)20/h9-10,13-14H,1-8H2,(H,15,16,17)(H,18,19,20)/t9-,10?/m1/s1 | | 別名: | POPSO | | 定義日: | 2017-01-25 | | 最終更新日: | 2020-06-17 | | 公開日: | 2017-04-12 | | 識別子（ID）: | 2-oxidanyl-3-[4-[(2~{R})-2-oxidanyl-3-sulfo-propyl]piperazin-1-yl]propane-1-sulfonic acid |
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 | | GCG | | 表記: | BIS(GAMMA-GLUTAMYL-CYSTEINYL-GLYCINYL)SPERMIDINE | | 組成式: | 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 | | 別名: | TRYPANOTHIONE | | 定義日: | 1999-07-08 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | (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) |
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 | | GCH | | 表記: | GLYCOCHOLIC ACID | | 組成式: | C26 H43 N O6 | | SMILES: | O=C(O)CNC(=O)CCC(C3CCC2C1C(O)CC4CC(O)CCC4(C)C1CC(O)C23C)C | | InChi: | InChI=1S/C26H43NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33)/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-/m1/s1 | | 別名: | N-CHOLYLGLYCINE | | 定義日: | 2000-03-09 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | N-[(3beta,5beta,7beta,9beta,12beta)-3,7,12-trihydroxy-24-oxocholan-24-yl]glycine |
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 | | GCQ | | 表記: | GEMCITABINE DIPHOSPHATE | | 組成式: | C9 H13 F2 N3 O10 P2 | | SMILES: | O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(F)(F)C2O | | InChi: | InChI=1S/C9H13F2N3O10P2/c10-9(11)6(15)4(3-22-26(20,21)24-25(17,18)19)23-7(9)14-2-1-5(12)13-8(14)16/h1-2,4,6-7,15H,3H2,(H,20,21)(H2,12,13,16)(H2,17,18,19)/t4-,6-,7-/m1/s1 | | 別名: | ((2R,3R,5R)-5-(4-AMINO-2-OXOPYRIMIDIN-1(2H)-YL)-4,4-DIFLUORO-3-HYDROXYTETRAHYDROFURAN-2-YL)METHYL TRIHYDROGEN
DIPHOSPHATE | | 定義日: | 2005-11-22 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 2'-deoxy-2',2'-difluorocytidine 5'-(trihydrogen diphosphate) |
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 | | GCY | | 表記: | N-[(2S,3R)-1-(beta-D-galactopyranosyloxy)-3-hydroxyoctadec-4-en-2-yl]tetracosanamide | | 組成式: | C48 H93 N O8 | | SMILES: | O=C(NC(COC1OC(C(O)C(O)C1O)CO)C(O)/C=C/CCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCC | | InChi: | InChI=1S/C48H93NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-44(52)49-41(40-56-48-47(55)46(54)45(53)43(39-50)57-48)42(51)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h35,37,41-43,45-48,50-51,53-55H,3-34,36,38-40H2,1-2H3,(H,49,52)/b37-35+/t41-,42+,43+,45-,46-,47+,48+/m0/s1 | | 別名: | beta-Galactosylceramide, Ceramide beta-D-galactoside | | 定義日: | 2011-08-25 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | N-[(2S,3R,4E)-1-(beta-D-galactopyranosyloxy)-3-hydroxyoctadec-4-en-2-yl]tetracosanamide |
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