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

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ChEBI Name N-(2-hydroxydocosanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine
ChEBI ID CHEBI:70918
ChEBI ASCII Name N-(2-hydroxydocosanoyl)-15-methylhexadecasphing-4-enine-1-phosphocholine
Definition An N-acyl-15-methylhexadecasphing-4-enine-1-phosphocholine in which the acyl group has 22 carbons and 0 double bonds and is 2-hydroxylated.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Alan Bridge
Supplier Information
Download Molfile XML SDF
Formula C44H89N2O7P
Net Charge 0
Average Mass 789.16040
Monoisotopic Mass 788.64074
InChI InChI=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
InChIKey NFVVZIPOGASQNY-LDQOJZKOSA-N
SMILES CCCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)[C@H](O)\C=C\CCCCCCCCCC(C)C
ChEBI Ontology
Outgoing 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)
Last Modified
22 November 2012