UNPD11140
AlkaPlorer ID: AK525047
Synonym: None
IUPAC Name: 4-[2-(2-carboxypyrrolidin-1-yl)ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid
Structure
SMILES: O=C(O)C1=CC(=CCN2CCCC2C(=O)O)CC(C(=O)O)N1
InChI: InChI=1S/C14H18N2O6/c17-12(18)9-6-8(7-10(15-9)13(19)20)3-5-16-4-1-2-11(16)14(21)22/h3,6,10-11,15H,1-2,4-5,7H2,(H,17,18)(H,19,20)(H,21,22)
InChIKey: SOKRTWSMFOUWEI-UHFFFAOYSA-N
Reference
Minor betalains in fruits of Hylocereus species
PubChem CID: 162963565
CAS: 2181-75-1
LOTUS: LTS0186893
COCONUT: CNP0234896.3
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
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Properties Information
Molecule Weight: 310.306
TPSA？: 127.17
MolLogP？: -0.123199999999999
Number of H-Donors: 4
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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