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CHEBI:62698 - Ins-1-P-Cer(d20:0/2-OH-26:0)

ChEBI IDCHEBI:62698
ChEBI NameIns-1-P-Cer(d20:0/2-OH-26:0)
Stars
DefinitionAn inositol phosphoceramide compound having a 2-hydroxyhexacosanoyl 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
FormulaC52H104NO12P
Net Charge0
Average Mass966.373
Monoisotopic Mass965.72961
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)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C52H104NO12P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-27-29-31-33-35-37-39-41-45(55)52(61)53-43(42-64-66(62,63)65-51-49(59)47(57)46(56)48(58)50(51)60)44(54)40-38-36-34-32-30-28-26-18-16-14-12-10-8-6-4-2/h43-51,54-60H,3-42H2,1-2H3,(H,53,61)(H,62,63)/t43-,44+,45?,46-,47-,48+,49+,50+,51-/m0/s1
InChIKeyMDDAIDDQKALICV-WTTQSCOLSA-N
ChEBI Ontology
Outgoing Relation(s)
Ins-1-P-Cer(d20:0/2-OH-26:0) (CHEBI:62698) is a inositol phosphoceramide (CHEBI:60245)
IUPAC Names 
(2S,3R)-3-hydroxy-2-[(2-hydroxyhexacosanoyl)amino]icosyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl hydrogen phosphate
(2S,3R)-3-hydroxy-2-[(2-hydroxyhexacosanoyl)amino]icosyl 1D-myo-inositol hydrogen phosphate
Synonyms  Source
IPC-2'SUBMITTER
IPC-B'SUBMITTER
inositol-P-ceramide-BSUBMITTER