CHEBI:70957 - N-(2-hydroxyoctacosanoyl)-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine

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ChEBI Name N-(2-hydroxyoctacosanoyl)-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine
ChEBI ID CHEBI:70957
ChEBI ASCII Name N-(2-hydroxyoctacosanoyl)-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine
Definition An N-acyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine in which the acyl group has 28 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 C50H103N2O8P
Net Charge 0
Average Mass 891.33520
Monoisotopic Mass 890.74521
InChI InChI=1S/C50H103N2O8P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-32-35-38-41-48(54)50(56)51-46(44-60-61(57,58)59-43-42-52(4,5)6)49(55)47(53)40-37-34-31-29-28-30-33-36-39-45(2)3/h45-49,53-55H,7-44H2,1-6H3,(H-,51,56,57,58)/t46-,47+,48?,49-/m0/s1
InChIKey DQIGKIUMICMIAM-GMENNFPBSA-N
SMILES CCCCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)[C@H](O)[C@H](O)CCCCCCCCCCC(C)C
ChEBI Ontology
Outgoing N-(2-hydroxyoctacosanoyl)-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine (CHEBI:70957) has functional parent 15-methylhexadecaphytosphingosine (CHEBI:70968)
N-(2-hydroxyoctacosanoyl)-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine (CHEBI:70957) is a N-acyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine (CHEBI:70776)
Synonym Source
4-hydroxy-N-(2-hydroxyoctacosanoyl)-15-methylhexadecasphinganine-1-phosphocholine ChEBI
Last Modified
22 November 2012