Molecule

(2S)-2-[[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoic acid

Chemical Information

10 Related Dataset(s) ⌄

Ochratoxin A; LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+

Ochratoxin A; LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+Na]+

Ochratoxin A; LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+

Ochratoxin A; LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+Na]+

Ochratoxin A; LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+

Ochratoxin A; LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+Na]+

Ochratoxin A; LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+H]+

Ochratoxin A; LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+Na]+

Ochratoxin A; LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+H]+

Ochratoxin A; LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+Na]+

Metadata Information

Field	Value
NFDI4Chem Molecule ID	nfdi4chem-mol33141
Source
Alternate Name	OCHRATOXIN A 303-47-9 Antibiotic 9663 CHEBI:7719 NCI-C56586 NSC 201422 (-)-N-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-3-phenylalanine Phenylalanine-ochratoxin A OCHRATOXIN A [MI] OCHRATOXIN A [HSDB] OCHRATOXIN A [IARC] Ochratoxin A-BSA conjugate from Aspergillus ochraceus N-(((3R)-5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-3-phenyl-L-alanine 1779SX6LUY L-Phenylalanine, N-((5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl)-, (R)- DTXSID7021073 Alanine, N-((5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-3-phenyl-, (-)- CCRIS 2382 NSC-201422 (2S)-2-[[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoic acid N-{[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-isochromen-7-yl]carbonyl}-L-phenylalanine HSDB 4305 EINECS 206-143-7 BRN 1301486 OCHRATOXIN A (IARC) UNII-1779SX6LUY (2S)-2-{[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl]formamido}-3-phenylpropanoic acid (R)-N-((5-Chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-benzo(c)pyran-7-yl)carbonyl)-3-phenylalanine (-)-N-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl-3-phenylalanine Alanine, N-[(5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl]-3-phenyl-, (-)- (2S)-2-{[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carbonyl]amino}-3-phenylpropanoic acid (R)-N-((5-Chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)-carbonyl)-L-phenylalanine (R)-N-((5-CHLORO-3,4-DIHYDRO-8-HYDROXY-3-METHYL-1-OXO-1H-2-BENZOPYRAN-7-YL)CARBONYL)-L-PHENYLALANINE (R)-N-((5-Chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl)phenylalanine L-Phenylalanine, N-(((3R)-5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl)- L-Phenylalanine, N-[(5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl]-, (R)- N-[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carbonyl]-L-phenylalanine N-[(5-Chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl]phenylalanine, 9CI N-{[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl]carbonyl}-L-phenylalanine (R)-N-((5-Chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1 H-2-benzopyran-7-yl)carbonyl)phenylalanine 5-18-09-00056 (Beilstein Handbook Reference) NSC201422 NSC221991 (2S)-2-(((3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carbonyl)amino)-3-phenylpropanoic acid (2S)-2-(((3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl)formamido)-3-phenylpropanoic acid (2S)-2-(((3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino)-3-phenylpropanoic acid (R)-N-((5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-benzo[c]pyran-7-yl)carbonyl)-3-phenylalanine (R)-N-[(5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl]-L-phenylalanine 2-(((5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl)(hydroxy)methylidene)amino)-3-phenylpropanoic acid 2-{[(5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl)(hydroxy)methylidene]amino}-3-phenylpropanoic acid N-(((3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl)carbonyl)-L-phenylalanine N-(((3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-isochromen-7-yl)carbonyl)-L-phenylalanine N-((3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carbonyl)-L-phenylalanine N-((5-Chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl)phenylalanine, 9CI Phe-OTA Phenylalanine ochratoxin A DTXCID401073 PHENYL-, (-)- ()N((5Chloro8hydroxy3methyl1oxo7isochromanyl)carbonyl)3phenylalanine Alanine, N((5chloro8hydroxy3methyl1oxo7isochromanyl)carbonyl)3phenyl, () N(((3R)5Chloro8hydroxy3methyl1oxo7isochromanyl)carbonyl)3phenylLalanine (R)N((5Chloro3,4dihydro8hydroxy3methyl1oxo1 H2benzopyran7yl)carbonyl)phenylalanine ALANINE, N-((5-CHLORO-8-HYDROXY-3-METHYL-1-OXO-7-ISOCHROMANYL)CARBONYL)-3- LPhenylalanine, N((5chloro3,4dihydro8hydroxy3methyl1oxo1H2benzopyran7yl)carbonyl), (R) N-(((3R)-5-CHLORO-8-HYDROXY-3-METHYL-1-OXO-7-ISOCHROMANYL)CARBONYL)-3- 206-143-7 inchi=1/c20h18clno6/c1-10-7-12-14(21)9-13(17(23)16(12)20(27)28-10)18(24)22-15(19(25)26)8-11-5-3-2-4-6-11/h2-6,9-10,15,23h,7-8h2,1h3,(h,22,24)(h,25,26 Phenylalanine - ochratoxin A 3R14S-Ochratoxin A OTA MFCD00078079 N-[(3R)-(5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl]-L-phenylalanine Ochratoxin A(OTA) (2~{S})-2-[[(3~{R})-5-chloranyl-3-methyl-8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl]carbonylamino]-3-phenyl-propanoic acid Ochratoxin A (10?g/mL in Acetonitrile) Ochratoxin A 2 microg/mL in Acetonitrile Ochratoxin A 10 microg/mL in Acetonitrile Ochratoxin A from Aspergillus ochraceus 97U 03 - Mycotoxin CBiol_002012 SCHEMBL15105 CHEMBL589366 GTPL4672 MEGxm0_000357 ACon0_000200 ACon1_001268 MSK7211 Bio1_000298 Bio1_000787 Bio1_001276 GLXC-10695 MSK7211-10A BDBM50485598 MSK7211-100M AKOS024456512 Ochratoxin A 2 microg/mL in Methanol Ochratoxin A 10 microg/mL in Methanol SMP2_000132 NCGC00162403-01 NCGC00162403-02 NCGC00162403-03 NCGC00162403-04 NCGC00162403-05 Ochratoxin A 100 microg/mL in Methanol NS00003381 ST50826330 Ochratoxin A solution in Methanol, 100ug/mL C09955 G91050 Ochratoxin A solution in Acetonitrile, 10ug/mL Ochratoxin A 10 microg/mL in Acetonitrile:Methanol Q1885038 BRD-K39944607-001-01-4 Ochratoxin A, from Petromyces albertensis, >=98% (HPLC) Ochratoxin A, reference material, from Aspergillus ochraceus Ochratoxin A, purum, >=98.0% (TLC), from Aspergillus ochraceus 2-[((3R)-5-chloro-8-hydroxy-3-methyl-1-oxoisochroman-7-yl)carbonylamino](2S)-3 -phenylpropanoic acid

Field	Value
No additional information available for this Dataset.

Data-Source Molecule ID	Data-Source
CHEBI:7719	chebi
97U	rcsb_pdb
CHEMBL589366	chembl
15105	surechembl
29356553	surechembl
442530	pubchem
1779SX6LUY	fdasrs
PD019288	probes_and_drugs
JAZDUJ	CCDC
229736	brenda
229737	brenda
HMDB0029399	hmdb
Molport-001-739-782	molport
50485598	bindingdb
The data in this table is sourced from UniChem at EBI.