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Sucrose Acetate Isobutyrate

UUID 22f2e15d-00e3-4aa4-849b-7104d471570d
Flow Object IDfo-ed5e76fefe874575
Source EF 3.1
Context Environmental → Air → Unknown
CAS Numbers 126-13-6
EC Numbers 204-771-6
prefLabel
Language Value Provenance
en Sucrose Acetate Isobutyrate
altLabel ⓘ
Language Value Provenance
en [(2R,3R,4S,5S)-5-(acetyloxymethyl)-5-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-3,4,5-tris(2-methylpropanoyloxy)oxan-2-yl]oxy-3,4-bis(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate
en Binester SAAB
en E 444
en Isobutyric acid, hexaester with sucrose diacetate
en SAIB
en SAIB 100
en SAIB 100S
en SAIB FG
en Saccharose acetate isobutyrate
en Sucrose acetate isobutanoate
en Sucrose acetoisobutyrate
en Sucrose, diacetate hexaisobutyrate
en Sustane SAIB MCT
en Sustane SAIB-ET 10
en α-<span class="text-smallcaps">D</smallcap>-Glucopyranoside, 6-<em>O</em>-acetyl-1,3,4-tris-<em>O</em>-(2-methyl-1-oxopropyl)-β-<smallcap>D</span>-fructofuranosyl, 6-acetate 2,3,4-tris(2-methylpropanoate)
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey UVGUPMLLGBCFEJ-SWTLDUCYSA-N
InChI InChI=1S/C40H62O19/c1-18(2)33(43)50-16-27-29(54-35(45)20(5)6)32(57-38(48)23(11)12)40(58-27,17-51-25(14)42)59-39-31(56-37(47)22(9)10)30(55-36(46)21(7)8)28(53-34(44)19(3)4)26(52-39)15-49-24(13)41/h18-23,26-32,39H,15-17H2,1-14H3/t26-,27-,28-,29-,30+,31-,32+,39-,40+/m1/s1
IUPAC name 2-methylpropanoic acid [(2R,3R,4S,5S)-5-(acetyloxymethyl)-5-[[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-3,4,5-tris(2-methyl-1-oxopropoxy)-2-oxanyl]oxy]-3,4-bis(2-methyl-1-oxopropoxy)-2-oxolanyl]methyl ester, 2-methylpropionic acid [(2R,3R,4S,5S)-5-(acetoxymethyl)-5-[(2R,3R,4S,5R,6R)-6-(acetoxymethyl)-3,4,5-triisobutyryloxy-tetrahydropyran-2-yl]oxy-3,4-diisobutyryloxy-tetrahydrofuran-2-yl]methyl ester, [(2R,3R,4S,5S)-5-(acetoxymethyl)-5-[(2R,3R,4S,5R,6R)-6-(acetoxymethyl)-3,4,5-tris(2-methylpropanoyloxy)tetrahydropyran-2-yl]oxy-3,4-bis(2-methylpropanoyloxy)tetrahydrofuran-2-yl]methyl 2-methylpropanoate, [(2R,3R,4S,5S)-5-(acetyloxymethyl)-5-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-3,4,5-tris(2-methylpropanoyloxy)oxan-2-yl]oxy-3,4-bis(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate
Molecular formula C40H62O19
Molecular mass 846.917
Monoisotopic mass 846.38853
SMILES CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](COC(=O)C(C)C)[C@@H](OC(=O)C(C)C)[C@@H]2OC(=O)C(C)C)[C@H](OC(=O)C(C)C)[C@@H](OC(=O)C(C)C)[C@@H]1OC(=O)C(C)C, CC(C)C(=O)OCC1C(C(C(O1)(COC(=O)C)OC2C(C(C(C(O2)COC(=O)C)OC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C, CC(C)C(=O)OC[C@@H]1[C@H]([C@@H]([C@](O1)(COC(=O)C)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 22f2e15d-00e3-4aa4-849b-7104d471570d sucrose acetate isobutyrate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 sucrose acetate isobutyrate Emissions/Emissions to air/Emissions to air, indoor kg exactMatch —

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=sucroseacetateisobutyrate||dimension=Environmental > media=Water > water_body=Unknown; cas=126-13-6; added Common Chemistry CAS names as altLabel: Binester SAAB, E 444, Isobutyric acid, hexaester with sucrose diacetate, SAIB, SAIB 100, SAIB 100S, SAIB FG, Saccharose acetate isobutyrate, Sucrose acetate isobutanoate, Sucrose acetoisobutyrate, Sucrose, diacetate hexaisobutyrate, Sustane SAIB MCT, Sustane SAIB-ET 10, α-<span class="text-smallcaps">D</smallcap>-Glucopyranoside, 6-<em>O</em>-acetyl-1,3,4-tris-<em>O</em>-(2-methyl-1-oxopropyl)-β-<smallcap>D</span>-fructofuranosyl, 6-acetate 2,3,4-tris(2-methylpropanoate); object_uuid=fo-ed5e76fefe874575
cas_match_labels 1 — consensus_match group_key=sucroseacetateisobutyrate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'126-13-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ed5e76fefe874575: {'126-13-6': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
indoorUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': '[(2R,3R,4S,5S)-5-(acetyloxymethyl)-5-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-3,4,5-tris(2-methylpropanoyloxy)oxan-2-yl]oxy-3,4-bis(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:[(2R,3R,4S,5S)-5-(acetyloxymethyl)-5-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-3,4,5-tris(2-methylpropanoyloxy)oxan-2-yl]oxy-3,4-bis(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate', 'http://purl.obolibrary.org/obo/CHEBI_177717', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '[(2R,3R,4S,5S)-5-(acetyloxymethyl)-5-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-3,4,5-tris(2-methylpropanoyloxy)oxan-2-yl]oxy-3,4-bis(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:[(2R,3R,4S,5S)-5-(acetyloxymethyl)-5-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-3,4,5-tris(2-methylpropanoyloxy)oxan-2-yl]oxy-3,4-bis(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate', 'http://purl.obolibrary.org/obo/CHEBI_177717', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Binester SAAB', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:126-13-6', 'https://commonchemistry.cas.org/detail?cas_rn=126-13-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'E 444', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:126-13-6', 'https://commonchemistry.cas.org/detail?cas_rn=126-13-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isobutyric acid, hexaester with sucrose diacetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:126-13-6', 'https://commonchemistry.cas.org/detail?cas_rn=126-13-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'SAIB', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:126-13-6', 'https://commonchemistry.cas.org/detail?cas_rn=126-13-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'SAIB 100', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:126-13-6', 'https://commonchemistry.cas.org/detail?cas_rn=126-13-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'SAIB 100S', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:126-13-6', 'https://commonchemistry.cas.org/detail?cas_rn=126-13-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'SAIB FG', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:126-13-6', 'https://commonchemistry.cas.org/detail?cas_rn=126-13-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Saccharose acetate isobutyrate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:126-13-6', 'https://commonchemistry.cas.org/detail?cas_rn=126-13-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Sucrose acetate isobutanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:126-13-6', 'https://commonchemistry.cas.org/detail?cas_rn=126-13-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Sucrose acetoisobutyrate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:126-13-6', 'https://commonchemistry.cas.org/detail?cas_rn=126-13-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Sucrose, diacetate hexaisobutyrate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:126-13-6', 'https://commonchemistry.cas.org/detail?cas_rn=126-13-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Sustane SAIB MCT', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:126-13-6', 'https://commonchemistry.cas.org/detail?cas_rn=126-13-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Sustane SAIB-ET 10', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:126-13-6', 'https://commonchemistry.cas.org/detail?cas_rn=126-13-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'α-<span class="text-smallcaps">D</smallcap>-Glucopyranoside, 6-<em>O</em>-acetyl-1,3,4-tris-<em>O</em>-(2-methyl-1-oxopropyl)-β-<smallcap>D</span>-fructofuranosyl, 6-acetate 2,3,4-tris(2-methylpropanoate)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:126-13-6', 'https://commonchemistry.cas.org/detail?cas_rn=126-13-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=sucroseacetateisobutyrate||dimension=Environmental > media=Water > water_body=Unknown; cas=126-13-6; added Common Chemistry CAS names as altLabel: Binester SAAB, E 444, Isobutyric acid, hexaester with sucrose diacetate, SAIB, SAIB 100, SAIB 100S, SAIB FG, Saccharose acetate isobutyrate, Sucrose acetate isobutanoate, Sucrose acetoisobutyrate, Sucrose, diacetate hexaisobutyrate, Sustane SAIB MCT, Sustane SAIB-ET 10, α-<span class="text-smallcaps">D</smallcap>-Glucopyranoside, 6-<em>O</em>-acetyl-1,3,4-tris-<em>O</em>-(2-methyl-1-oxopropyl)-β-<smallcap>D</span>-fructofuranosyl, 6-acetate 2,3,4-tris(2-methylpropanoate); object_uuid=fo-ed5e76fefe874575
cas_match_labels None {'126-13-6': 'exactMatch'} group_key=sucroseacetateisobutyrate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'126-13-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ed5e76fefe874575: {'126-13-6': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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