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CHEBI:62697 - Ins-1-P-Cer(d20:0/2-OH-24:0)

ChEBI IDCHEBI:62697
ChEBI NameIns-1-P-Cer(d20:0/2-OH-24:0)
Stars
DefinitionAn inositol phosphoceramide compound having a tetracosanoyl group amide-linked to a C20 sphinganine, no hydroxylation at C-4 of the long-chain base, and hydroxylation at C-2 of the very-long-chain fatty acid.
Last Modified9 August 2011
Submitterbheavner
DownloadsMolfile
FormulaC50H100NO12P
Net Charge0
Average Mass938.319
Monoisotopic Mass937.69831
SMILESCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](COP(=O)(O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C50H100NO12P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-39-43(53)50(59)51-41(40-62-64(60,61)63-49-47(57)45(55)44(54)46(56)48(49)58)42(52)38-36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2/h41-49,52-58H,3-40H2,1-2H3,(H,51,59)(H,60,61)/t41-,42+,43?,44-,45-,46+,47+,48+,49-/m0/s1
InChIKeyWHJKFPYARRPYJZ-FQJMCLRMSA-N
ChEBI Ontology
Outgoing Relation(s)
Ins-1-P-Cer(d20:0/2-OH-24:0) (CHEBI:62697) is a inositol phosphoceramide (CHEBI:60245)
Incoming Relation(s)
Man-1-6-Ins-1-P-Cer(d20:0/2-OH-24:0) (CHEBI:62707) has functional parent Ins-1-P-Cer(d20:0/2-OH-24:0) (CHEBI:62697)
IUPAC Names 
(2S,3R)-3-hydroxy-2-[(2-hydroxytetracosanoyl)amino]icosyl 1D-myo-inositol hydrogen phosphate
(2S,3R)-3-hydroxy-2-[(2-hydroxytetracosanoyl)amino]icosyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl hydrogen phosphate
Synonyms  Source
IPC-B'SUBMITTER
IPC-2'SUBMITTER
inositol-P-ceramide-BSUBMITTER