 | | PG2 | | Name: | PROSTAGLANDIN D2 | | Formula: | C20 H32 O5 | | SMILES: | O=C1CC(O)C(CC=C/CCCC(=O)O)C1/C=C/C(O)CCCCC | | InChi: | InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-/m0/s1 | | Synonyms: | (5E,13E)-9,15-DIHYDROXY-11-OXOPROSTA-5,13-DIEN-1-OIC ACID | | Definition date: | 2004-01-06 | | Last modified: | 2020-06-17 | | Identifier: | (5Z,9alpha,13E,15S)-9,15-dihydroxy-11-oxoprosta-5,13-dien-1-oic acid |
|
 | | YT5 | | Name: | Moiramide B | | Formula: | C25 H31 N3 O5 | | SMILES: | CC=CC=CC(=O)N[CH](CC(=O)N[CH](C(C)C)C(=O)[CH]1[CH](C)C(=O)NC1=O)c2ccccc2 | | InChi: | InChI=1S/C25H31N3O5/c1-5-6-8-13-19(29)26-18(17-11-9-7-10-12-17)14-20(30)27-22(15(2)3)23(31)21-16(4)24(32)28-25(21)33/h5-13,15-16,18,21-22H,14H2,1-4H3,(H,26,29)(H,27,30)(H,28,32,33)/b6-5+,13-8+/t16-,18-,21+,22-/m0/s1 | | Synonyms: | (2~{E},4~{E})-~{N}-[(1~{S})-3-[[(2~{S})-3-methyl-1-[(3~{R},4~{S})-4-methyl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-1-oxi
danylidene-butan-2-yl]amino]-3-oxidanylidene-1-phenyl-propyl]hexa-2,4-dienamide | | Definition date: | 2016-06-09 | | Last modified: | 2020-06-17 | | Release date: | 2016-08-10 | | Identifier: | (2~{E},4~{E})-~{N}-[(1~{S})-3-[[(2~{S})-3-methyl-1-[(3~{R},4~{S})-4-methyl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanylidene-1-phenyl-propyl]hexa-2,4-dienamide |
|
 | | UC2 | | Name: | N-[4-CLORO-3-(T-BUTYLOXOME)PHENYL-2-METHYL-3-FURAN-CARBOTHIAMIDE | | Formula: | C17 H19 Cl N2 O2 S | | SMILES: | S=C(Nc1cc(C=NOC(C)(C)C)c(Cl)cc1)c2c(occ2)C | | InChi: | InChI=1S/C17H19ClN2O2S/c1-11-14(7-8-21-11)16(23)20-13-5-6-15(18)12(9-13)10-19-22-17(2,3)4/h5-10H,1-4H3,(H,20,23)/b19-10+ | | Synonyms: | UC10 | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | N-{3-[(E)-(tert-butoxyimino)methyl]-4-chlorophenyl}-2-methylfuran-3-carbothioamide |
|
 | | SPB | | Name: | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | | Formula: | C19 H19 N O3 | | SMILES: | O=C(Nc1ccc(cc1)C=Cc2ccccc2)CCCC(=O)O | | InChi: | InChI=1S/C19H19NO3/c21-18(7-4-8-19(22)23)20-17-13-11-16(12-14-17)10-9-15-5-2-1-3-6-15/h1-3,5-6,9-14H,4,7-8H2,(H,20,21)(H,22,23)/b10-9+ | | Synonyms: | 5-OXO-5-({4-[(E)-2-PHENYLVINYL]PHENYL}AMINO)PENTANOIC ACID | | Definition date: | 2000-09-20 | | Last modified: | 2020-06-17 | | Identifier: | 5-oxo-5-({4-[(E)-2-phenylethenyl]phenyl}amino)pentanoic acid |
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 | | PVN | | Name: | PHYCOVIOLOBILIN | | Formula: | C33 H40 N4 O6 | | SMILES: | CCC1=C(C)C(=O)N[CH]1Cc2[nH]c(C=C3N=C(C=C4NC(=O)C(=C4C)CC)C(=C3CCC(O)=O)C)c(CCC(O)=O)c2C | | InChi: | InChI=1S/C33H40N4O7/c1-7-20-15(2)25(36-33(20)44)12-23-16(3)21(8-10-29(39)40)26(34-23)14-27-22(9-11-30(41)42)17(4)24(35-27)13-28-31(19(6)38)18(5)32(43)37-28/h12,14,19,28,35,38H,7-11,13H2,1-6H3,(H,36,44)(H,37,43)(H,39,40)(H,41,42)/b25-12+,26-14-/t19?,28-/m1/s1 | | Synonyms: | Phycoviolobilin, bound form | | Definition date: | 2006-11-02 | | Last modified: | 2020-06-17 | | Identifier: | 3-[5-[[(2R)-3-ethyl-4-methyl-5-oxidanylidene-1,2-dihydropyrrol-2-yl]methyl]-2-[(Z)-[5-[(E)-(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid |
|
 | | SPU | | Name: | 2-{[(R)-{[(2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl]oxy}(hydroxy)phosphoryl]oxy}-N,N,N-trimethylethanaminium | | Formula: | C23 H50 N2 O5 P | | SMILES: | O=P(OCC(N)C(O)/C=C/CCCCCCCCCCCCC)(OCC[N+](C)(C)C)O | | InChi: | InChI=1S/C23H49N2O5P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)22(24)21-30-31(27,28)29-20-19-25(2,3)4/h17-18,22-23,26H,5-16,19-21,24H2,1-4H3/p+1/b18-17+/t22-,23+/m0/s1 | | Synonyms: | sphingosylphosphorylcholine, sphingosine phosphorylcholine | | Definition date: | 2009-07-28 | | Last modified: | 2020-06-17 | | Identifier: | 2-{[(R)-{[(2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl]oxy}(hydroxy)phosphoryl]oxy}-N,N,N-trimethylethanaminium |
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 | | NTE | | Name: | [3,3'-{7-ethenyl-3,8,13,17-tetramethyl-12-[(E)-2-nitroethenyl]porphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~}dipro
panoato(2-)]iron | | Formula: | C34 H31 Fe N5 O6 | | SMILES: | N45[Fe]26n1c8c(c(c1C=C3N2=C(C(=C3C)C=C[N+]([O-])=O)C=C4C(=C(C5=CC7=N6C(C(=C7C)CCC(=O)O)=C8)C=C)C)C)CCC(O)=O | | InChi: | InChI=1S/C34H33N5O6.Fe/c1-6-21-17(2)27-15-30-24(11-12-39(44)45)20(5)26(36-30)13-25-18(3)22(7-9-33(40)41)31(37-25)16-32-23(8-10-34(42)43)19(4)28(38-32)14-29(21)35-27 | | Synonyms: | Nitriheme | | Definition date: | 2011-03-02 | | Last modified: | 2020-06-17 | | Identifier: | {3,3'-[7-ethenyl-3,8,13,17-tetramethyl-12-(2-nitroethenyl)porphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(2-)}iron |
|
 | | UDR | | Name: | (E)-S-Methyl
5-(1-(3,7-Dimethyl-2-oxo-2,3-dihydrobenzo[d]oxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-enyl)-2-methoxy-3-methy
lbenzothioate | | Formula: | C27 H29 N3 O5 S | | SMILES: | O=C(SC)c1c(OC)c(cc(c1)C(c3cc2c(OC(=O)N2C)c(c3)C)=C/CCCc4nnc(o4)C)C | | InChi: | InChI=1S/C27H29N3O5S/c1-15-11-18(13-21(24(15)33-5)26(31)36-6)20(9-7-8-10-23-29-28-17(3)34-23)19-12-16(2)25-22(14-19)30(4)27(32)35-25/h9,11-14H,7-8,10H2,1-6H3/b20-9+ | | Synonyms: | S-methyl
5-[(1E)-1-(3,7-dimethyl-2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-en-1-yl]-2-methox
y-3-methylbenzenecarbothioate | | Definition date: | 2009-08-25 | | Last modified: | 2020-06-17 | | Identifier: | S-methyl 5-[(1E)-1-(3,7-dimethyl-2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-en-1-yl]-2-methoxy-3-methylbenzenecarbothioate |
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 | | SQS | | Name: | (2S,3R,4E)-2-aminooctadec-4-ene-1,3-diol | | Formula: | C18 H37 N O2 | | SMILES: | OCC(N)C(O)/C=C/CCCCCCCCCCCCC | | InChi: | InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/b15-14+/t17-,18+/m0/s1 | | Synonyms: | D-Sphingosine | | Definition date: | 2013-04-26 | | Last modified: | 2020-06-17 | | Release date: | 2013-05-08 | | Identifier: | (2S,3R,4E)-2-aminooctadec-4-ene-1,3-diol |
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 | | P3D | | Name: | (4-{(E)-[(5-AMINOPENTYL)IMINO]METHYL}-5-HYDROXY-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE | | Formula: | C13 H22 N3 O5 P | | SMILES: | O=P(O)(O)OCc1cnc(c(O)c1/C=N/CCCCCN)C | | InChi: | InChI=1S/C13H22N3O5P/c1-10-13(17)12(8-15-6-4-2-3-5-14)11(7-16-10)9-21-22(18,19)20/h7-8,17H,2-6,9,14H2,1H3,(H2,18,19,20)/b15-8+ | | Synonyms: | PHOSPHORIC ACID MONO-{4-[(5-AMINO-PENTYLIMINO)-METHYL]-5-HYDROXY-6-METHYL-PYRIDIN-3-YLMETHYL} ESTER | | Definition date: | 2007-05-16 | | Last modified: | 2020-06-17 | | Identifier: | (4-{(E)-[(5-aminopentyl)imino]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate |
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 | | NFQ | | Name: | N-[(E)-iminomethyl]-L-aspartic acid | | Formula: | C5 H8 N2 O4 | | SMILES: | O=C(O)C(NC=[N@H])CC(=O)O | | InChi: | InChI=1S/C5H8N2O4/c6-2-7-3(5(10)11)1-4(8)9/h2-3H,1H2,(H2,6,7)(H,8,9)(H,10,11)/t3-/m0/s1 | | Synonyms: | N-formimino-L-Aspartate | | Definition date: | 2010-04-12 | | Last modified: | 2020-06-17 | | Identifier: | N-[(E)-iminomethyl]-L-aspartic acid |
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 | | PXE | | Name: | 2-methyl-5-(1-methylethyl)cyclohexa-2,5-diene-1,4-dione 1-oxime | | Formula: | C10 H13 N O2 | | SMILES: | O=C1C=C(C(=NO)C=C1C(C)C)C | | InChi: | InChI=1S/C10H13NO2/c1-6(2)8-5-9(11-13)7(3)4-10(8)12/h4-6,13H,1-3H3/b11-9+ | | Synonyms: | (E)-4-(hydroxyimino)-2-isopropyl-5-methylcyclohexa-2,5-dienone | | Definition date: | 2010-04-12 | | Last modified: | 2020-06-17 | | Identifier: | (4E)-4-(hydroxyimino)-5-methyl-2-(propan-2-yl)cyclohexa-2,5-dien-1-one |
|
 | | 5OP | | Name: | (5E,13E)-11-HYDROXY-9,15-DIOXOPROSTA-5,13-DIEN-1-OIC ACID | | Formula: | C20 H30 O5 | | SMILES: | O=C(O)CCC/C=C/CC1C(=O)CC(O)C1C=CC(=O)CCCCC | | InChi: | InChI=1S/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,16-17,19,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4?,13-12+ | | Synonyms: | 15-OXO-PGE2 | | Definition date: | 2003-11-11 | | Last modified: | 2020-06-17 | | Identifier: | (8beta,13E)-11-hydroxy-9,15-dioxoprosta-5,13-dien-1-oic acid |
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 | | PJA | | Name: | 4-formyl-3-hydroxy-8-methoxy-1,9-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-6-carboxylic acid | | Formula: | C18 H14 O8 | | SMILES: | O=C(O)c1c2Oc3c(C(=O)Oc2c(c(OC)c1)C)c(cc(O)c3C=O)C | | InChi: | InChI=1S/C18H14O8/c1-7-4-11(20)10(6-19)15-13(7)18(23)26-14-8(2)12(24-3)5-9(17(21)22)16(14)25-15/h4-6,20H,1-3H3,(H,21,22) | | Synonyms: | Psoromic acid | | Definition date: | 2012-05-08 | | Last modified: | 2020-06-17 | | Identifier: | 4-formyl-3-hydroxy-8-methoxy-1,9-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-6-carboxylic acid |
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 | | 03F | | Name: | (9Z)-N-[(2S,3R,4E)-1-(beta-D-glucopyranosyloxy)-3-hydroxyoctadec-4-en-2-yl]octadec-9-enamide | | Formula: | C42 H79 N O8 | | SMILES: | O=C(NC(COC1OC(C(O)C(O)C1O)CO)C(O)/C=C/CCCCCCCCCCCCC)CCCCCCCC=C/CCCCCCCC | | InChi: | InChI=1S/C42H79NO8/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-38(46)43-35(34-50-42-41(49)40(48)39(47)37(33-44)51-42)36(45)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,29,31,35-37,39-42,44-45,47-49H,3-16,19-28,30,32-34H2,1-2H3,(H,43,46)/b18-17-,31-29+/t35-,36+,37+,39+,40-,41+,42+/m0/s1 | | Synonyms: | N-(9Z-octadecenoyl)-1--glucosyl-sphing-4-enine | | Definition date: | 2011-08-21 | | Last modified: | 2020-06-17 | | Identifier: | (9Z)-N-[(2S,3R,4E)-1-(beta-D-glucopyranosyloxy)-3-hydroxyoctadec-4-en-2-yl]octadec-9-enamide |
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 | | XJ0 | | Name: | (E)-3-(2-AMINO-PYRIDINE-5YL)-ACRYLIC ACID | | Formula: | C7 H7 N3 O2 | | SMILES: | O=C(O)/C=C/c1cnc(nc1)N | | InChi: | InChI=1S/C7H7N3O2/c8-7-9-3-5(4-10-7)1-2-6(11)12/h1-4H,(H,11,12)(H2,8,9,10)/b2-1+ | | Synonyms: | (2E)-3-(2-AMINOPYRIMIDIN-5-YL)PROP-2-ENOIC ACID | | Definition date: | 2010-07-01 | | Last modified: | 2020-06-17 | | Identifier: | (2E)-3-(2-aminopyrimidin-5-yl)prop-2-enoic acid |
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 | | NVP | | Name: | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE | | Formula: | C15 H14 N4 O | | SMILES: | O=C2Nc1c(ccnc1N(c3ncccc23)C4CC4)C | | InChi: | InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20) | | Synonyms: | NON-NUCLEOSIDE RT INHIBITOR NEVIRAPINE | | Definition date: | 2000-08-15 | | Last modified: | 2020-06-17 | | Identifier: | 11-cyclopropyl-4-methyl-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one |
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 | | VPA | | Name: | 2-phenyl-N-(6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)ethylamidine | | Formula: | C19 H28 N2 O9 | | SMILES: | O(CC2OC(NC(=[N@H])Cc1ccccc1)C(O)C(O)C2O)C3OCC(O)C(O)C3O | | InChi: | InChI=1S/C19H28N2O9/c20-12(6-9-4-2-1-3-5-9)21-18-16(26)15(25)14(24)11(30-18)8-29-19-17(27)13(23)10(22)7-28-19/h1-5,10-11,13-19,22-27H,6-8H2,(H2,20,21)/t10-,11-,13+,14-,15+,16-,17-,18-,19+/m1/s1 | | Synonyms: | 2-phenyl-N-[(2R,3R,4S,5S,6R)-3,4,5-tris(oxidanyl)-6-[[(2S,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]oxan-2-yl]e
thanimidamide | | Definition date: | 2014-01-31 | | Last modified: | 2020-06-17 | | Release date: | 2014-04-23 | | Identifier: | N-[(1E)-2-phenylethanimidoyl]-6-O-beta-D-xylopyranosyl-beta-D-glucopyranosylamine |
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 | | T8X | | Name: | 2-O-sulfo-alpha-D-glucopyranosyl
2-O-hexadecanoyl-3-O-[(2E,4S,6S,8S)-2,4,6,8-tetramethyltetracos-2-enoyl]-alpha-D-glucopyranoside | | Formula: | C56 H104 O16 S | | SMILES: | O=S(=O)(O)OC2C(O)C(O)C(OC2OC1OC(CO)C(O)C(OC(=O)/C(=C/C(C)CC(C)CC(C)CCCCCCCCCCCCCCCC)C)C1OC(=O)CCCCCCCCCCCCCCC)CO | | InChi: | InChI=1S/C56H104O16S/c1-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-41(3)36-42(4)37-43(5)38-44(6)54(63)70-51-49(61)46(40-58)68-56(71-55-52(72-73(64,65)66)50(62)48(60)45(39-57)67-55)53(51)69-47(59)35-33-31-29-27-25-22-20-18-16-14-12-10-8-2/h38,41-43,45-46,48-53,55-58,60-62H,7-37,39-40H2,1-6H3,(H,64,65,66)/b44-38+/t41-,42-,43-,45+,46+,48+,49+,50-,51-,52+,53+,55+,56+/m0/s1 | | Synonyms: | 2-Palmitoyl-3-[2S,4S,6S,8S-tetramethyl-trans-2-tetracosenoyl]-2'-sulfate-alpha-alpha'-D-trehalose | | Definition date: | 2011-08-18 | | Last modified: | 2020-06-17 | | Identifier: | 2-O-sulfo-alpha-D-glucopyranosyl 2-O-hexadecanoyl-3-O-[(2E,4S,6S,8S)-2,4,6,8-tetramethyltetracos-2-enoyl]-alpha-D-glucopyranoside |
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 | | TNS | | Name: | N-(TRANS-4'-NITRO-4-STILBENYL)-N-METHYL-5-AMINO-PENTANOIC ACID | | Formula: | C20 H22 N2 O4 | | SMILES: | [O-][N+](=O)c1ccc(cc1)C=Cc2ccc(N(C)CCCCC(=O)O)cc2 | | InChi: | InChI=1S/C20H22N2O4/c1-21(15-3-2-4-20(23)24)18-11-7-16(8-12-18)5-6-17-9-13-19(14-10-17)22(25)26/h5-14H,2-4,15H2,1H3,(H,23,24)/b6-5+ | | Synonyms: | 5-[{4-[(E)-2-(4-NITROPHENYL)VINYL]PHENYL}(METHYL)AMINO]PENTANOIC ACID | | Definition date: | 2006-02-20 | | Last modified: | 2020-06-17 | | Identifier: | 5-(methyl{4-[(E)-2-(4-nitrophenyl)ethenyl]phenyl}amino)pentanoic acid |
|
 | | VPX | | Name: | ethyl
[(1R,3aR,4aR,6R,8aR,9S,9aS)-9-{(E)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl}-1-methyl-3-oxododecahydronaphtho[2,3-c]fur
an-6-yl]carbamate | | Formula: | C29 H33 F N2 O4 | | SMILES: | Fc1cccc(c1)c2ccc(nc2)C=CC4C3C(CC(NC(=O)OCC)CC3)CC5C(=O)OC(C45)C | | InChi: | InChI=1S/C29H33FN2O4/c1-3-35-29(34)32-23-10-11-24-20(14-23)15-26-27(17(2)36-28(26)33)25(24)12-9-22-8-7-19(16-31-22)18-5-4-6-21(30)13-18/h4-9,12-13,16-17,20,23-27H,3,10-11,14-15H2,1-2H3,(H,32,34)/b12-9+/t17-,20+,23-,24-,25+,26-,27+/m1/s1 | | Synonyms: | vorapaxar | | Definition date: | 2012-08-23 | | Last modified: | 2020-06-17 | | Release date: | 2012-12-07 | | Identifier: | ethyl [(1R,3aR,4aR,6R,8aR,9S,9aS)-9-{(E)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl}-1-methyl-3-oxododecahydronaphtho[2,3-c]furan-6-yl]carbamate |
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 | | P7D | | Name: | Resminostat | | Formula: | C16 H19 N3 O4 S | | SMILES: | c1cc(ccc1CN(C)C)S(n2ccc(C=CC(=O)NO)c2)(=O)=O | | InChi: | InChI=1S/C16H19N3O4S/c1-18(2)11-13-3-6-15(7-4-13)24(22,23)19-10-9-14(12-19)5-8-16(20)17-21/h3-10,12,21H,11H2,1-2H3,(H,17,20)/b8-5+ | | Synonyms: | (2E)-3-[1-({4-[(dimethylamino)methyl]phenyl}sulfonyl)-1H-pyrrol-3-yl]-N-hydroxyprop-2-enamide | | Definition date: | 2019-08-02 | | Last modified: | 2020-06-17 | | Release date: | 2019-12-04 | | Identifier: | (2E)-3-[1-({4-[(dimethylamino)methyl]phenyl}sulfonyl)-1H-pyrrol-3-yl]-N-hydroxyprop-2-enamide |
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 | | P80 | | Name: | 3-[(E)-2-nitroethenyl]phenol | | Formula: | C8 H7 N O3 | | SMILES: | [O-][N+](=O)/C=C/c1cc(O)ccc1 | | InChi: | InChI=1S/C8H7NO3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H/b5-4+ | | Synonyms: | (E)-1-(3'-hydroxyphenyl)-2-nitroethene | | Definition date: | 2010-10-14 | | Last modified: | 2020-06-17 | | Identifier: | 3-[(E)-2-nitroethenyl]phenol |
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 | | P81 | | Name: | 4-[(E)-2-nitroethenyl]phenol | | Formula: | C8 H7 N O3 | | SMILES: | [O-][N+](=O)/C=C/c1ccc(O)cc1 | | InChi: | InChI=1S/C8H7NO3/c10-8-3-1-7(2-4-8)5-6-9(11)12/h1-6,10H/b6-5+ | | Synonyms: | (E)-1-(4'-hydroxyphenyl)-2-nitroethene | | Definition date: | 2010-10-14 | | Last modified: | 2020-06-17 | | Identifier: | 4-[(E)-2-nitroethenyl]phenol |
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 | | S1P | | Name: | (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate | | Formula: | C18 H38 N O5 P | | SMILES: | O=P(OCC(N)C(O)/C=C/CCCCCCCCCCCCC)(O)O | | InChi: | InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1 | | Synonyms: | sphingosine 1-phosphate | | Definition date: | 2009-07-14 | | Last modified: | 2020-06-17 | | Identifier: | (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate |
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