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6-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)hexanoic Acid

UUID 1eb68bec-4518-45d8-899f-058f7609cd5c
Deprecated yes
Replaced By df904c1f-6964-4015-98dd-f381bc2e106f
Flow Object IDfo-0afa213fb9711307
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 4443-26-9
EC Numbers 224-675-8
prefLabel
Language Value Provenance
en 6-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)hexanoic Acid
altLabel ⓘ
Language Value Provenance
en 1,3-Dihydro-1,3-dioxo-2<em>H</em>-isoindole-2-hexanoic acid
en 2-Isoindolinehexanoic acid, 1,3-dioxo-
en 2<em>H</em>-Isoindole-2-hexanoic acid, 1,3-dihydro-1,3-dioxo-
en 6-(1,3-Dioxo-1,3-dihydroisoindol-2-yl)hexanoic acid
en 6-(1,3-Dioxoisoindolin-2-yl)hexanoic acid
en 6-Phthalimidohexanoic acid
en Phthalimidocapronic acid
en ε-Phthalimidocaproic acid
en ω-Phthalimidocaproic acid
References
Shared Properties
Predicate Value
InChIKey QJDSLDWVMCWWCO-UHFFFAOYSA-N, WCPTXJJVVDAEMW-UANZIBEISA-N
InChI InChI=1S/C14H15NO4/c16-12(17)8-2-1-5-9-15-13(18)10-6-3-4-7-11(10)14(15)19/h3-4,6-7H,1-2,5,8-9H2,(H,16,17), InChI=1S/C9H12N3O7P/c10-5-1-2-12(9(14)11-5)8-6(13)7-4(18-8)3-17-20(15,16)19-7/h1-2,4,6-8,13H,3H2,(H,15,16)(H2,10,11,14)/t4?,6-,7?,8+/m0/s1
IUPAC name 4-amino-1-[(6R,7S)-2,7-dihydroxy-2-keto-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphorin-6-yl]pyrimidin-2-one, 4-amino-1-[(6R,7S)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]pyrimidin-2-one, 4-amino-1-[(6R,7S)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphorin-6-yl]-2-pyrimidinone, 4-azanyl-1-[(6R,7S)-2,7-bis(oxidanyl)-2-oxidanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]pyrimidin-2-one, 6-(1,3-dioxo-2-isoindolyl)hexanoic acid, 6-(1,3-dioxoisoindol-2-yl)hexanoic acid, 6-(1,3-dioxoisoindolin-2-yl)hexanoic acid, 6-[1,3-bis(oxidanylidene)isoindol-2-yl]hexanoic acid, 6-phthalimidohexanoic acid
Molecular formula C14H15NO4, C9H12N3O7P
Molecular mass 261.277
Monoisotopic mass 261.100108
SMILES C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCC(=O)O, C1C2C(C(C(O2)N3C=CC(=NC3=O)N)O)OP(=O)(O1)O, C1C2C([C@@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)OP(=O)(O1)O, O=C(O)CCCCCN1C(=O)c2ccccc2C1=O

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 1eb68bec-4518-45d8-899f-058f7609cd5c 6-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)hexanoic acid

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 1 — consensus_match group_key=6-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)hexanoicacid||dimension=Environmental > media=Water > water_body=Unknown; cas=4443-26-9; added Common Chemistry CAS names as altLabel: 1,3-Dihydro-1,3-dioxo-2<em>H</em>-isoindole-2-hexanoic acid, 2-Isoindolinehexanoic acid, 1,3-dioxo-, 2<em>H</em>-Isoindole-2-hexanoic acid, 1,3-dihydro-1,3-dioxo-, 6-(1,3-Dioxo-1,3-dihydroisoindol-2-yl)hexanoic acid, 6-(1,3-Dioxoisoindolin-2-yl)hexanoic acid, 6-Phthalimidohexanoic acid, Phthalimidocapronic acid, ε-Phthalimidocaproic acid, ω-Phthalimidocaproic acid; object_uuid=fo-0afa213fb9711307
cas_match_labels 1 — consensus_match group_key=6-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)hexanoicacid||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'4443-26-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-0afa213fb9711307: {'4443-26-9': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '1,3-Dihydro-1,3-dioxo-2<em>H</em>-isoindole-2-hexanoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4443-26-9', 'https://commonchemistry.cas.org/detail?cas_rn=4443-26-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Isoindolinehexanoic acid, 1,3-dioxo-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4443-26-9', 'https://commonchemistry.cas.org/detail?cas_rn=4443-26-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2<em>H</em>-Isoindole-2-hexanoic acid, 1,3-dihydro-1,3-dioxo-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4443-26-9', 'https://commonchemistry.cas.org/detail?cas_rn=4443-26-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '6-(1,3-Dioxo-1,3-dihydroisoindol-2-yl)hexanoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4443-26-9', 'https://commonchemistry.cas.org/detail?cas_rn=4443-26-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '6-(1,3-Dioxoisoindolin-2-yl)hexanoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4443-26-9', 'https://commonchemistry.cas.org/detail?cas_rn=4443-26-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '6-Phthalimidohexanoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4443-26-9', 'https://commonchemistry.cas.org/detail?cas_rn=4443-26-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Phthalimidocapronic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4443-26-9', 'https://commonchemistry.cas.org/detail?cas_rn=4443-26-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'ε-Phthalimidocaproic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4443-26-9', 'https://commonchemistry.cas.org/detail?cas_rn=4443-26-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'ω-Phthalimidocaproic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4443-26-9', 'https://commonchemistry.cas.org/detail?cas_rn=4443-26-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=6-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)hexanoicacid||dimension=Environmental > media=Water > water_body=Unknown; cas=4443-26-9; added Common Chemistry CAS names as altLabel: 1,3-Dihydro-1,3-dioxo-2<em>H</em>-isoindole-2-hexanoic acid, 2-Isoindolinehexanoic acid, 1,3-dioxo-, 2<em>H</em>-Isoindole-2-hexanoic acid, 1,3-dihydro-1,3-dioxo-, 6-(1,3-Dioxo-1,3-dihydroisoindol-2-yl)hexanoic acid, 6-(1,3-Dioxoisoindolin-2-yl)hexanoic acid, 6-Phthalimidohexanoic acid, Phthalimidocapronic acid, ε-Phthalimidocaproic acid, ω-Phthalimidocaproic acid; object_uuid=fo-0afa213fb9711307
cas_match_labels None {'4443-26-9': 'exactMatch'} group_key=6-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)hexanoicacid||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'4443-26-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-0afa213fb9711307: {'4443-26-9': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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        "4-amino-1-[(6R,7S)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]pyrimidin-2-one",
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