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CHEBI:70905 - N-icosanoyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine

ChEBI IDCHEBI:70905
ChEBI NameN-icosanoyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine
Stars
ASCII NameN-icosanoyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine
DefinitionAn N-acyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine in which the acyl group has 20 carbons and 0 double bonds.
Last Modified21 November 2012
SubmitterAlan Bridge
DownloadsMolfile
FormulaC42H87N2O7P
Net Charge0
Average Mass763.139
Monoisotopic Mass762.62509
SMILESCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@H](O)[C@H](O)CCCCCCCCCCC(C)C
InChIInChI=1S/C42H87N2O7P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-28-31-34-41(46)43-39(37-51-52(48,49)50-36-35-44(4,5)6)42(47)40(45)33-30-27-24-22-21-23-26-29-32-38(2)3/h38-40,42,45,47H,7-37H2,1-6H3,(H-,43,46,48,49)/t39-,40+,42-/m0/s1
InChIKeyLLBOCCQTDNAVSD-LFVSMIGWSA-N
ChEBI Ontology
Outgoing Relation(s)
N-icosanoyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine (CHEBI:70905) has functional parent 15-methylhexadecaphytosphingosine (CHEBI:70968)
N-icosanoyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine (CHEBI:70905) is a N-acyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine (CHEBI:70776)
Synonym  Source
N-eicosanoyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholineChEBI