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CHEBI:62702 - Ins-1-P-Cer(t20:0/2-OH-24:0)

ChEBI IDCHEBI:62702
ChEBI NameIns-1-P-Cer(t20:0/2-OH-24:0)
Stars
DefinitionA ceramide phosphoinositol compound having a tetracosanoyl group amide-linked to a C20 phytosphingosine base, with hydroxylation at C-2 of the C24 very-long-chain fatty acid.
Last Modified10 August 2011
Submitterbheavner
DownloadsMolfile
FormulaC50H100NO13P
Net Charge0
Average Mass954.318
Monoisotopic Mass953.69323
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)C(O)CCCCCCCCCCCCCCCC
InChIInChI=1S/C50H100NO13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-42(53)50(60)51-40(39-63-65(61,62)64-49-47(58)45(56)44(55)46(57)48(49)59)43(54)41(52)37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h40-49,52-59H,3-39H2,1-2H3,(H,51,60)(H,61,62)/t40-,41?,42?,43-,44-,45-,46+,47+,48+,49-/m0/s1
InChIKeyDLOWKEKJLORCGV-VQIWZBOASA-N
ChEBI Ontology
Outgoing Relation(s)
Ins-1-P-Cer(t20:0/2-OH-24:0) (CHEBI:62702) is a inositol phosphoceramide (CHEBI:60245)
Incoming Relation(s)
Man-1-6-Ins-1-P-Cer(t20:0/2-OH-24:0) (CHEBI:62711) has functional parent Ins-1-P-Cer(t20:0/2-OH-24:0) (CHEBI:62702)
IUPAC Names 
(2S,3S)-3,4-dihydroxy-2-[(2-hydroxytetracosanoyl)amino]icosyl 1D-myo-inositol hydrogen phosphate
(2S,3S)-3,4-dihydroxy-2-[(2-hydroxytetracosanoyl)amino]icosyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl hydrogen phosphate
Synonyms  Source
IPC-CSUBMITTER
IPC-3SUBMITTER
inositol-P-ceramide-CSUBMITTER