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CHEBI:62701 - Ins-1-P-Cer(t20:0/2-OH-26:0)

ChEBI IDCHEBI:62701
ChEBI NameIns-1-P-Cer(t20:0/2-OH-26:0)
Stars
DefinitionA ceramide phosphoinositol compound having a hexacosanoyl group amide-linked to a C20 phytosphingosine base, with hydroxylation at C-2 of the very-long-chain fatty acid.
Last Modified10 August 2011
Submitterbheavner
DownloadsMolfile
FormulaC52H104NO13P
Net Charge0
Average Mass982.372
Monoisotopic Mass981.72453
SMILESCCCCCCCCCCCCCCCCCCCCCCCCC(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/C52H104NO13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-44(55)52(62)53-42(41-65-67(63,64)66-51-49(60)47(58)46(57)48(59)50(51)61)45(56)43(54)39-37-35-33-31-29-27-18-16-14-12-10-8-6-4-2/h42-51,54-61H,3-41H2,1-2H3,(H,53,62)(H,63,64)/t42-,43?,44?,45-,46-,47-,48+,49+,50+,51-/m0/s1
InChIKeyVFFDKDUQCPRSHU-KHCBGYQMSA-N
ChEBI Ontology
Outgoing Relation(s)
Ins-1-P-Cer(t20:0/2-OH-26:0) (CHEBI:62701) is a inositol phosphoceramide (CHEBI:60245)
IUPAC Names 
(2S,3S)-3,4-dihydroxy-2-[(2-hydroxyhexacosanoyl)amino]icosyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl hydrogen phosphate
(2S,3S)-3,4-dihydroxy-2-[(2-hydroxyhexacosanoyl)amino]icosyl 1D-myo-inositol hydrogen phosphate
Synonyms  Source
IPC-CSUBMITTER
IPC-3SUBMITTER
inositol-P-ceramide-CSUBMITTER