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CHEBI:60444 - Ins-1-P-6-Man-β1-6-Ins-1-P-Cer(t20:0/26:0)

ChEBI IDCHEBI:60444
ChEBI NameIns-1-P-6-Man-β1-6-Ins-1-P-Cer(t20:0/26:0)
Stars
ASCII NameIns-1-P-6-Man-beta1-6-Ins-1-P-Cer(t20:0/26:0)
DefinitionAn inositol phosphomannosylinositol phosphoceramide compound having a hexacosanoyl group attached to the ceramide nitrogen, hydroxylation at C-4 of the long-chain base, and no additional hydroxylation of the very-long-chain fatty acid.
Last Modified18 January 2021
Submitterbheavner
DownloadsMolfile
FormulaC64H125NO25P2
Net Charge0
Average Mass1370.634
Monoisotopic Mass1369.80159
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)C(O)CCCCCCCCCCCCCCCC
InChIInChI=1S/C64H125NO25P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-47(67)65-44(48(68)45(66)40-38-36-34-32-30-28-18-16-14-12-10-8-6-4-2)42-85-91(81,82)90-63-59(79)55(75)54(74)58(78)62(63)88-64-60(80)50(70)49(69)46(87-64)43-86-92(83,84)89-61-56(76)52(72)51(71)53(73)57(61)77/h44-46,48-64,66,68-80H,3-43H2,1-2H3,(H,65,67)(H,81,82)(H,83,84)/t44-,45?,46+,48-,49+,50-,51-,52-,53+,54+,55+,56+,57+,58-,59+,60-,61-,62+,63+,64?/m0/s1
InChIKeyUWURVIZGOYZCSQ-MRMQQYLUSA-N
ChEBI Ontology
Outgoing Relation(s)
Ins-1-P-6-Man-β1-6-Ins-1-P-Cer(t20:0/26:0) (CHEBI:60444) has functional parent Man-β1-6-Ins-1-P-Cer(t20:0/26:0) (CHEBI:60421)
Ins-1-P-6-Man-β1-6-Ins-1-P-Cer(t20:0/26:0) (CHEBI:60444) is a inositol phosphomannosylinositol phosphophytoceramide (CHEBI:65006)
IUPAC Names 
(2S,3S)-2-(hexacosanoylamino)-3,4-dihydroxyicosyl (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,3S)-2-(hexacosanoylamino)-3,4-dihydroxyicosyl hydrogen phosphate]
Synonyms  Source
M(IP)2C-B (C26)SUBMITTER
M(IP)2C-2 (C26)SUBMITTER
inositol phosphomannosylinositol phosphoceramide B (C26)ChEBI
inositol phosphomannosylinositol phosphoceramide B (20:0/26:0)ChEBI
Citations