CHEBI:59423 - 1-hexadecanoyl-2-{6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]hexanoyl}-sn-glycero-3-phosphocholine

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ChEBI Name 1-hexadecanoyl-2-{6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]hexanoyl}-sn-glycero-3-phosphocholine
ChEBI ID CHEBI:59423
ChEBI ASCII Name 1-hexadecanoyl-2-{6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]hexanoyl}-sn-glycero-3-phosphocholine
Definition A 1,2-diacyl-sn-glycero-3-phosphocholine(1+) in which the acyl groups at C-1 and C-2 are hexadecanoyl and 6-[(7-nitrobenz-2-oxa-1,3-diazol-4-yl)amino]hexanoyl respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C36H63N5O11P
Net Charge +1
Average Mass 772.88610
Monoisotopic Mass 772.42562
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
SMILES CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCNc1ccc([N+]([O-])=O)c2nonc12
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
(via 1,2-diacyl-sn-glycero-3-phosphocholine(1+) )
Application(s): 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.
(via 1,2-diacyl-sn-glycero-3-phosphocholine(1+) )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
1-Palmitoyl-2-(6-(N-(7-nitrobenz)-2-oxa-1,3-diazol-4-yl)aminocaproyl)phosphatidylcholine ChemIDplus
2-(6-(7-nitrobenz-2-oxa-1,3-diazol-4-yl)amino)hexanoyl-1-hexadecanoyl-sn-glycero-3-phosphocholine ChEBI
C6-Nbd-PC ChemIDplus
NBD-C6-HPC ChEBI
NBD-PC ChEBI
NBD-phosphatidylcholine ChEBI
Registry Numbers Types Sources
81005-34-7 CAS Registry Number ChemIDplus
9540029 Beilstein Registry Number Beilstein
Citation Waiting for Citations Type Source
14551186 PubMed citation Europe PMC
Last Modified
21 November 2016