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CHEBI:62716 - Ins-1-P-6-Man-1-6-Ins-1-P-Cer(d20:0/2-OH-24:0)

ChEBI IDCHEBI:62716
ChEBI NameIns-1-P-6-Man-1-6-Ins-1-P-Cer(d20:0/2-OH-24:0)
Stars
DefinitionAn inositol phosphomannosylinositol phosphoceramide compound having an inositol 1-phosphoryl group linked to the mannose residue (at the 6-position) and a tetracosanoyl group amide-linked to a C20 sphinganine base, with no hydroxylation at C-4 of the long-chain base and hydroxylation at C2 of the C24 very-long-chain fatty acid.
Last Modified18 January 2021
Submitterbheavner
DownloadsMolfile
FormulaC62H121NO25P2
Net Charge0
Average Mass1342.580
Monoisotopic Mass1341.77029
SMILESCCCCCCCCCCCCCCCCCCCCCCC(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]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/C62H121NO25P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-39-44(65)61(78)63-42(43(64)38-36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2)40-83-89(79,80)88-60-56(76)52(72)51(71)55(75)59(60)86-62-57(77)47(67)46(66)45(85-62)41-84-90(81,82)87-58-53(73)49(69)48(68)50(70)54(58)74/h42-60,62,64-77H,3-41H2,1-2H3,(H,63,78)(H,79,80)(H,81,82)/t42-,43+,44?,45+,46+,47-,48-,49-,50+,51+,52+,53+,54+,55-,56+,57-,58-,59+,60+,62?/m0/s1
InChIKeyIKJJXBULQZUCJL-SOZYTLDBSA-N
ChEBI Ontology
Outgoing Relation(s)
Ins-1-P-6-Man-1-6-Ins-1-P-Cer(d20:0/2-OH-24:0) (CHEBI:62716) has functional parent Man-1-6-Ins-1-P-Cer(d20:0/2-OH-24:0) (CHEBI:62707)
Ins-1-P-6-Man-1-6-Ins-1-P-Cer(d20:0/2-OH-24:0) (CHEBI:62716) is a inositol phosphomannosylinositol-1-phospho-C20-dihydroceramide (CHEBI:139532)
IUPAC Names 
(2S,3R)-3-hydroxy-2-[(2-hydroxytetracosanoyl)amino]icosyl (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)-3-hydroxy-2-[(2-hydroxytetracosanoyl)amino]icosyl hydrogen phosphate]
Synonyms  Source
M(IP)2C-B'SUBMITTER
M(IP)2C-2'SUBMITTER
mannose-(inositol-P)2-ceramide-B'SUBMITTER