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CHEBI:60440 - Ins-1-P-6-Man-β1-6-Ins-1-P-Cer(d20:0/26:0)

ChEBI IDCHEBI:60440
ChEBI NameIns-1-P-6-Man-β1-6-Ins-1-P-Cer(d20:0/26:0)
Stars
ASCII NameIns-1-P-6-Man-beta1-6-Ins-1-P-Cer(d20:0/26:0)
DefinitionAn inositol phosphomannosylinositol phosphoceramide compound having a hexacosanoyl group attached to the ceramide nitrogen.
Last Modified18 January 2021
Submitterbheavner
DownloadsMolfile
FormulaC64H125NO24P2
Net Charge0
Average Mass1354.635
Monoisotopic Mass1353.80668
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC(=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]1OC1O[C@H](COP(=O)(O)O[C@@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O)[C@H](O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C64H125NO24P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-42-48(67)65-45(46(66)41-39-37-35-33-31-29-27-18-16-14-12-10-8-6-4-2)43-84-90(80,81)89-63-59(78)55(74)54(73)58(77)62(63)87-64-60(79)50(69)49(68)47(86-64)44-85-91(82,83)88-61-56(75)52(71)51(70)53(72)57(61)76/h45-47,49-64,66,68-79H,3-44H2,1-2H3,(H,65,67)(H,80,81)(H,82,83)/t45-,46+,47+,49+,50-,51-,52-,53+,54+,55+,56+,57+,58-,59+,60-,61-,62+,63+,64?/m0/s1
InChIKeyVLQPACAXEJJAOW-ARUSZGJNSA-N
ChEBI Ontology
Outgoing Relation(s)
Ins-1-P-6-Man-β1-6-Ins-1-P-Cer(d20:0/26:0) (CHEBI:60440) has functional parent Man-β1-6-Ins-1-P-Cer(d20:0/26:0) (CHEBI:60417)
Ins-1-P-6-Man-β1-6-Ins-1-P-Cer(d20:0/26:0) (CHEBI:60440) is a inositol phosphomannosylinositol-1-phospho-C20-dihydroceramide (CHEBI:139532)
IUPAC Names 
(2S,3R)-2-(hexacosanoylamino)-3-hydroxyicosyl (1R,2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-{[6-O-(hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)-D-mannopyranosyl]oxy}cyclohexyl hydrogen phosphate
1D-6-O-{[6-O-(hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)-D-mannopyranosyl]}-myo-inositol 1-[(2S,3R)-2-(hexacosanoylamino)-3-hydroxyicosyl hydrogen phosphate]
Synonyms  Source
M(IP)2C-A (C26)SUBMITTER
M(IP)2C-1 (C26)SUBMITTER
inositol phosphomannosylinositol phosphoceramide A (C26)ChEBI
inositol phosphomannosylinositol phosphoceramide A (20:0/26:0)ChEBI
Citations