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CHEBI:59423 - 1-hexadecanoyl-2-{6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]hexanoyl}-sn-glycero-3-phosphocholine
| Formula | C36H63N5O11P |
| Net Charge | +1 |
| Average Mass | 772.898 |
| Monoisotopic Mass | 772.42562 |
| SMILES | CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCNc1ccc([N+](=O)[O-])c2nonc12 |
| InChI | InChI=1S/C36H62N5O11P/c1-5-6-7-8-9-10-11-12-13-14-15-16-18-21-33(42)48-28-30(29-50-53(46,47)49-27-26-41(2,3)4)51-34(43)22-19-17-20-25-37-31-23-24-32(40(44)45)36-35(31)38-52-39-36/h23-24,30H,5-22,25-29H2,1-4H3,(H-,37,39,46,47)/p+1/t30-/m1/s1 |
| InChIKey | RIWWBDCNFJKLCV-SSEXGKCCSA-O |
| Roles Classification |
|---|
| Biological Role: | human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). |
| Applications: | fluorescent probe A role played by a fluorescent molecular entity used to study the microscopic environment by fluorescence spectroscopy. drug Any substance which when absorbed into a living organism may modify one or more of its functions. The term is generally accepted for a substance taken for a therapeutic purpose, but is also commonly used for abused substances. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-hexadecanoyl-2-{6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]hexanoyl}-sn-glycero-3-phosphocholine (CHEBI:59423) has role fluorescent probe (CHEBI:39442) |
| 1-hexadecanoyl-2-{6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]hexanoyl}-sn-glycero-3-phosphocholine (CHEBI:59423) is a 1,2-diacyl-sn-glycero-3-phosphocholine(1+) (CHEBI:16110) |
| IUPAC Name |
|---|
| 2-{[(2R)-2-{6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]hexanoyloxy}-3-(1-hexadecanoyloxy)propoxy](hydroxy)phosphoryloxy}-N,N,N-trimethylethanaminium |
| Synonyms | Source |
|---|---|
| 2-(6-(7-nitrobenz-2-oxa-1,3-diazol-4-yl)amino)hexanoyl-1-hexadecanoyl-sn-glycero-3-phosphocholine | ChEBI |
| NBD-C6-HPC | ChEBI |
| C6-Nbd-PC | ChemIDplus |
| 1-Palmitoyl-2-(6-(N-(7-nitrobenz)-2-oxa-1,3-diazol-4-yl)aminocaproyl)phosphatidylcholine | ChemIDplus |
| NBD-PC | ChEBI |
| NBD-phosphatidylcholine | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Beilstein:9540029 | Beilstein |
| CAS:81005-34-7 | ChemIDplus |
| Citations |
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