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CHEBI:59416 - 1-hexadecanoyl-2-{12-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]dodecanoyl}-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:59416
ChEBI Name1-hexadecanoyl-2-{12-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]dodecanoyl}-sn-glycero-3-phosphocholine
Stars
ASCII Name1-hexadecanoyl-2-{12-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]dodecanoyl}-sn-glycero-3-phosphocholine
DefinitionA 1,2-diacyl-sn-glycero-3-phosphocholine in which the acyl groups at C-1 and C-2 are hexadecanoyl and 12-[(7-nitrobenz-2-oxa-1,3-diazol-4-yl)amino]dodecanoyl respectively.
Last Modified21 November 2016
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC42H75N5O11P
Net Charge+1
Average Mass857.060
Monoisotopic Mass856.51952
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCNc1ccc([N+](=O)[O-])c2nonc12
InChIInChI=1S/C42H74N5O11P/c1-5-6-7-8-9-10-11-12-13-15-18-21-24-27-39(48)54-34-36(35-56-59(52,53)55-33-32-47(2,3)4)57-40(49)28-25-22-19-16-14-17-20-23-26-31-43-37-29-30-38(46(50)51)42-41(37)44-58-45-42/h29-30,36H,5-28,31-35H2,1-4H3,(H-,43,45,52,53)/p+1/t36-/m1/s1
InChIKeyQVXAZNMRZNYTNS-PSXMRANNSA-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-{12-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]dodecanoyl}-sn-glycero-3-phosphocholine (CHEBI:59416) has role fluorescent probe (CHEBI:39442)
1-hexadecanoyl-2-{12-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]dodecanoyl}-sn-glycero-3-phosphocholine (CHEBI:59416) is a 1,2-diacyl-sn-glycero-3-phosphocholine(1+) (CHEBI:16110)
IUPAC Name 
2-{[(2R)-2-{12-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]dodecanoyloxy}-3-(1-hexadecanoyloxy)propoxy](hydroxy)phosphoryloxy}-N,N,N-trimethylethanaminium
Synonyms  Source
2-(12-(7-nitrobenz-2-oxa-1,3-diazol-4-yl)amino)dodecanoyl-1-hexadecanoyl-sn-glycero-3-phosphocholineChEBI
NBD-C12-HPCChEBI
2-{12-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]dodecanoyl}-1-palmitoyl-sn-glycero-3-phosphocholineChEBI
1-palmitoyl-2-{12-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]dodecanoyl}-sn-glycero-3-phosphocholineChEBI
1-palmitoyl-2-(12-[N-(7-nitrobenz-2-oxa-1,3-diazol-4-yl)amino]dodecanoyl)-sn-glycero-3-posphocholineChEBI
12-NBD-PCChEBI
Registry NumbersSources
Reaxys:9686440Reaxys
Citations