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CHEBI:60442 - Ins-1-P-6-Man-β1-6-Ins-1-P-Cer(d20:0/2-OH-26:0)

ChEBI IDCHEBI:60442
ChEBI NameIns-1-P-6-Man-β1-6-Ins-1-P-Cer(d20:0/2-OH-26:0)
Stars
ASCII NameIns-1-P-6-Man-beta1-6-Ins-1-P-Cer(d20:0/2-OH-26:0)
DefinitionAn inositol phosphomannosylinositol phosphoceramide compound having a hexacosaonyl group attached to the ceramide nitrogen, with no hydroxylation at C-4 of the long-chain base, and hydroxylation at C-2 of the very-long-chain fatty acid.
Last Modified18 January 2021
Submitterbheavner
DownloadsMolfile
FormulaC64H125NO25P2
Net Charge0
Average Mass1370.634
Monoisotopic Mass1369.80159
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]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/C64H125NO25P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-27-29-31-33-35-37-39-41-46(67)63(80)65-44(45(66)40-38-36-34-32-30-28-26-18-16-14-12-10-8-6-4-2)42-85-91(81,82)90-62-58(78)54(74)53(73)57(77)61(62)88-64-59(79)49(69)48(68)47(87-64)43-86-92(83,84)89-60-55(75)51(71)50(70)52(72)56(60)76/h44-62,64,66-79H,3-43H2,1-2H3,(H,65,80)(H,81,82)(H,83,84)/t44-,45+,46?,47+,48+,49-,50-,51-,52+,53+,54+,55+,56+,57-,58+,59-,60-,61+,62+,64?/m0/s1
InChIKeyJXNYHSLNDVOELE-VVQDBQCTSA-N
ChEBI Ontology
Outgoing Relation(s)
Ins-1-P-6-Man-β1-6-Ins-1-P-Cer(d20:0/2-OH-26:0) (CHEBI:60442) has functional parent Man-β1-6-Ins-1-P-Cer(d20:0/2-OH-26:0) (CHEBI:60419)
Ins-1-P-6-Man-β1-6-Ins-1-P-Cer(d20:0/2-OH-26:0) (CHEBI:60442) is a inositol phosphomannosylinositol-1-phospho-C20-dihydroceramide (CHEBI:139532)
IUPAC Names 
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-hydroxyhexacosanoyl)amino]icosyl hydrogen phosphate]
(2S,3R)-3-hydroxy-2-[(2-hydroxyhexacosanoyl)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
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