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CHEBI:70918 - N-(2-hydroxydocosanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine

ChEBI IDCHEBI:70918
ChEBI NameN-(2-hydroxydocosanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine
Stars
ASCII NameN-(2-hydroxydocosanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine
DefinitionAn N-acyl-15-methylhexadecasphing-4-enine-1-phosphocholine in which the acyl group has 22 carbons and 0 double bonds and is 2-hydroxylated.
Last Modified22 November 2012
SubmitterAlan Bridge
DownloadsMolfile
FormulaC44H89N2O7P
Net Charge0
Average Mass789.177
Monoisotopic Mass788.64074
SMILESCCCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@H](O)/C=C/CCCCCCCCCC(C)C
InChIInChI=1S/C44H89N2O7P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-27-30-33-36-43(48)44(49)45-41(39-53-54(50,51)52-38-37-46(4,5)6)42(47)35-32-29-26-24-21-22-25-28-31-34-40(2)3/h32,35,40-43,47-48H,7-31,33-34,36-39H2,1-6H3,(H-,45,49,50,51)/b35-32+/t41-,42+,43?/m0/s1
InChIKeyNFVVZIPOGASQNY-LDQOJZKOSA-N
ChEBI Ontology
Outgoing Relation(s)
N-(2-hydroxydocosanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine (CHEBI:70918) has functional parent 15-methylhexadecasphing-4-enine (CHEBI:70798)
N-(2-hydroxydocosanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine (CHEBI:70918) is a N-acyl-15-methylhexadecasphing-4-enine-1-phosphocholine (CHEBI:70775)