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N-Undec-10-enoylphenylalanine
| Flow Object ID | fo-027f593e04e6e667 | ||||||
|---|---|---|---|---|---|---|---|
| Type | Consensus | ||||||
| prefLabel |
|
||||||
| Alt Labels |
|
||||||
| CAS Numbers | 420805-16-9 | ||||||
| EC Numbers | 446-800-7 | ||||||
| Changes Applied | 13 |
Properties
| Predicate | Value |
|---|---|
| InChIKey |
RTBWWWVNZWFNBV-UHFFFAOYSA-N
|
| InChI |
InChI=1S/C20H29NO3/c1-2-3-4-5-6-7-8-12-15-19(22)21-18(20(23)24)16-17-13-10-9-11-14-17/h2,9-11,13-14,18H,1,3-8,12,15-16H2,(H,21,22)(H,23,24)
|
| IUPAC name |
2-(1-oxoundec-10-enylamino)-3-phenylpropanoic acid, 3-phenyl-2-(undec-10-enoylamino)propanoic acid, 3-phenyl-2-(undec-10-enoylamino)propionic acid
|
| Molecular formula |
C20H29NO3
|
| SMILES |
C=CCCCCCCCCC(=O)NC(CC1=CC=CC=C1)C(=O)O
|
References
- https://commonchemistry.cas.org/detail?cas_rn=420805-16-9
- https://comptox.epa.gov/dashboard/DTXSID201019713
- https://pubchem.ncbi.nlm.nih.gov/compound/17965565
- https://www.wikidata.org/wiki/Q126611898
Linked Elementary Flows
| UUID | Source | Unit | Context | LCIA Factors | Consensus Changes |
|---|---|---|---|---|---|
4faccc1d… |
EF 3.1 | kg | Environmental → Air → Aircraft cruise height | 2 | 1 |
795168c9… |
EF 3.1 | kg | Environmental → Air → Ground level → Rural (<1000 people/square mile) | 0 | 1 |
4f2a5485… |
EF 3.1 | kg | Environmental → Air → Ground level → Urban (>1000 people/square mile) | 2 | 1 |
0254c449… |
EF 3.1 | kg | Environmental → Air → High stack, >150 meters | 2 | 1 |
0d4bb43c… |
EF 3.1 | kg | Environmental → Air → Unknown | 2 | 1 |
fee75e55… |
EF 3.1 | kg | Environmental → Air → Unknown | 2 | 1 |
31e1b9ae… |
EF 3.1 | kg | Environmental → Ground → Agricultural | 2 | 1 |
4b855390… |
EF 3.1 | kg | Environmental → Ground → Unknown | 2 | 1 |
4293a3a0… |
EF 3.1 | kg | Environmental → Water → Ocean | 2 | 1 |
8c1a6b4b… |
EF 3.1 | kg | Environmental → Water → Surface water | 2 | 1 |
c2e40538… |
EF 3.1 | kg | Environmental → Water → Unknown | 2 | 1 |
▶
Changes Applied
| Elementary Flow | Field | Old Value | New Value | Comment |
|---|---|---|---|---|
0254c449… |
cas_match_labels |
— |
{"420805-16-9":"exactMatch"} |
group_key=2-(undec-10-enoylamino)-3-phenylpropanoicacid||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=[]; cas_sources={'420805-16-9': []}; assigned CAS labels from group consensus; object_uuid=fo-027f593e04e6e667: {'420805-16-9': 'exactMatch'} |
0d4bb43c… |
cas_match_labels |
— |
{"420805-16-9":"exactMatch"} |
group_key=2-(undec-10-enoylamino)-3-phenylpropanoicacid||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=[]; cas_sources={'420805-16-9': []}; assigned CAS labels from group consensus; object_uuid=fo-027f593e04e6e667: {'420805-16-9': 'exactMatch'} |
31e1b9ae… |
cas_match_labels |
— |
{"420805-16-9":"exactMatch"} |
group_key=2-(undec-10-enoylamino)-3-phenylpropanoicacid||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=[]; cas_sources={'420805-16-9': []}; assigned CAS labels from group consensus; object_uuid=fo-027f593e04e6e667: {'420805-16-9': 'exactMatch'} |
4293a3a0… |
cas_match_labels |
— |
{"420805-16-9":"exactMatch"} |
group_key=2-(undec-10-enoylamino)-3-phenylpropanoicacid||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=[]; cas_sources={'420805-16-9': []}; assigned CAS labels from group consensus; object_uuid=fo-027f593e04e6e667: {'420805-16-9': 'exactMatch'} |
4b855390… |
cas_match_labels |
— |
{"420805-16-9":"exactMatch"} |
group_key=2-(undec-10-enoylamino)-3-phenylpropanoicacid||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=[]; cas_sources={'420805-16-9': []}; assigned CAS labels from group consensus; object_uuid=fo-027f593e04e6e667: {'420805-16-9': 'exactMatch'} |
4f2a5485… |
cas_match_labels |
— |
{"420805-16-9":"exactMatch"} |
group_key=2-(undec-10-enoylamino)-3-phenylpropanoicacid||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=[]; cas_sources={'420805-16-9': []}; assigned CAS labels from group consensus; object_uuid=fo-027f593e04e6e667: {'420805-16-9': 'exactMatch'} |
4faccc1d… |
cas_match_labels |
— |
{"420805-16-9":"exactMatch"} |
group_key=2-(undec-10-enoylamino)-3-phenylpropanoicacid||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=[]; cas_sources={'420805-16-9': []}; assigned CAS labels from group consensus; object_uuid=fo-027f593e04e6e667: {'420805-16-9': 'exactMatch'} |
6b686d4c… |
cas_match_labels |
— |
{"420805-16-9":"exactMatch"} |
group_key=2-(undec-10-enoylamino)-3-phenylpropanoicacid||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=[]; cas_sources={'420805-16-9': []}; assigned CAS labels from group consensus; object_uuid=fo-027f593e04e6e667: {'420805-16-9': 'exactMatch'} |
795168c9… |
cas_match_labels |
— |
{"420805-16-9":"exactMatch"} |
group_key=2-(undec-10-enoylamino)-3-phenylpropanoicacid||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=[]; cas_sources={'420805-16-9': []}; assigned CAS labels from group consensus; object_uuid=fo-027f593e04e6e667: {'420805-16-9': 'exactMatch'} |
8c1a6b4b… |
cas_match_labels |
— |
{"420805-16-9":"exactMatch"} |
group_key=2-(undec-10-enoylamino)-3-phenylpropanoicacid||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=[]; cas_sources={'420805-16-9': []}; assigned CAS labels from group consensus; object_uuid=fo-027f593e04e6e667: {'420805-16-9': 'exactMatch'} |
c2e40538… |
cas_match_labels |
— |
{"420805-16-9":"exactMatch"} |
group_key=2-(undec-10-enoylamino)-3-phenylpropanoicacid||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=[]; cas_sources={'420805-16-9': []}; assigned CAS labels from group consensus; object_uuid=fo-027f593e04e6e667: {'420805-16-9': 'exactMatch'} |
ed2fa9cd… |
cas_match_labels |
— |
{"420805-16-9":"exactMatch"} |
group_key=2-(undec-10-enoylamino)-3-phenylpropanoicacid||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=[]; cas_sources={'420805-16-9': []}; assigned CAS labels from group consensus; object_uuid=fo-027f593e04e6e667: {'420805-16-9': 'exactMatch'} |
fee75e55… |
cas_match_labels |
— |
{"420805-16-9":"exactMatch"} |
group_key=2-(undec-10-enoylamino)-3-phenylpropanoicacid||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=[]; cas_sources={'420805-16-9': []}; assigned CAS labels from group consensus; object_uuid=fo-027f593e04e6e667: {'420805-16-9': 'exactMatch'} |
Flow Object JSON
{
"flow_object_id": "fo-027f593e04e6e667",
"prefLabel": [
{
"@value": "N-Undec-10-enoylphenylalanine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "prefLabel"
}
}
],
"altLabel": [
{
"@value": "2-(undec-10-enoylamino)-3-phenylpropanoic Acid",
"@language": "en",
"@lang": "en",
"provenance": {
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"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "altLabel"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C20H29NO3"
],
"rdfs:label": "Molecular formula",
"provenance": {
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},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"RTBWWWVNZWFNBV-UHFFFAOYSA-N"
],
"rdfs:label": "InChIKey",
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},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"@value": [
"C=CCCCCCCCCC(=O)NC(CC1=CC=CC=C1)C(=O)O"
],
"rdfs:label": "SMILES",
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"prov:wasDerivedFrom": "pubchem.props.SMILES"
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"@value": [
"InChI=1S/C20H29NO3/c1-2-3-4-5-6-7-8-12-15-19(22)21-18(20(23)24)16-17-13-10-9-11-14-17/h2,9-11,13-14,18H,1,3-8,12,15-16H2,(H,21,22)(H,23,24)"
],
"rdfs:label": "InChI",
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],
"prov:wasDerivedFrom": "pubchem.props.InChI"
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"@value": [
"2-(1-oxoundec-10-enylamino)-3-phenylpropanoic acid",
"3-phenyl-2-(undec-10-enoylamino)propanoic acid",
"3-phenyl-2-(undec-10-enoylamino)propionic acid"
],
"rdfs:label": "IUPAC name",
"provenance": {
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"prov:hadPrimarySource": [
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],
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}
}
},
"references": [
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],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "0254c449-9af4-410e-9e12-d854432b9f37",
"seed_source": "EF 3.1"
},
"classifications": {
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"@value": [
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],
"rdfs:seeAlso": [
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"skos:exactMatch": [
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},
"origin_qualifier": null,
"parent_flow_object_id": null
}