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CHEBI:62703 - Ins-1-P-Cer(t20:0/2,3-OH-24:0)

ChEBI IDCHEBI:62703
ChEBI NameIns-1-P-Cer(t20:0/2,3-OH-24:0)
Stars
DefinitionA ceramide phosphoinositol compound having a tetracosanoyl group amide-linked to a C20 phytosphingosine base, with hydroxylation at C-2 and C-3 of the C24 very-long-chain fatty acid.
Last Modified10 August 2011
Submitterbheavner
DownloadsMolfile
FormulaC50H100NO14P
Net Charge0
Average Mass970.317
Monoisotopic Mass969.68814
SMILESCCCCCCCCCCCCCCCCCCCCCC(O)C(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/C50H100NO14P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-41(53)43(55)50(61)51-39(38-64-66(62,63)65-49-47(59)45(57)44(56)46(58)48(49)60)42(54)40(52)36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2/h39-49,52-60H,3-38H2,1-2H3,(H,51,61)(H,62,63)/t39-,40?,41?,42-,43?,44-,45-,46+,47+,48+,49-/m0/s1
InChIKeyCKYNTCPMWFNUCH-XDEHNCITSA-N
ChEBI Ontology
Outgoing Relation(s)
Ins-1-P-Cer(t20:0/2,3-OH-24:0) (CHEBI:62703) is a inositol phosphoceramide (CHEBI:60245)
Incoming Relation(s)
Man-1-6-Ins-1-P-Cer(t20:0/2,3-OH-24:0) (CHEBI:62713) has functional parent Ins-1-P-Cer(t20:0/2,3-OH-24:0) (CHEBI:62703)
IUPAC Names 
(2S,3S)-2-[(2,3-dihydroxytetracosanoyl)amino]-3,4-dihydroxyicosyl 1D-myo-inositol hydrogen phosphate
(2S,3S)-2-[(2,3-dihydroxytetracosanoyl)amino]-3,4-dihydroxyicosyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl hydrogen phosphate
Synonyms  Source
IPC-DSUBMITTER
IPC-4SUBMITTER
inositol-P-ceramide-DSUBMITTER