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CHEBI:60447 - Ins-1-P-6-Man-β1-6-Ins-1-P-Cer(t20:0/2,3-OH-26:0)

ChEBI IDCHEBI:60447
ChEBI NameIns-1-P-6-Man-β1-6-Ins-1-P-Cer(t20:0/2,3-OH-26:0)
Stars
ASCII NameIns-1-P-6-Man-beta1-6-Ins-1-P-Cer(t20:0/2,3-OH-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 hydroxylation at C-2 and C-3 of the very-long-chain fatty acid.
Last Modified18 January 2021
Submitterbheavner
DownloadsMolfile
FormulaC64H125NO27P2
Net Charge0
Average Mass1402.632
Monoisotopic Mass1401.79142
SMILESCCCCCCCCCCCCCCCCCCCCCCCC(O)C(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)C(O)CCCCCCCCCCCCCCCC
InChIInChI=1S/C64H125NO27P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-27-29-31-33-35-37-39-44(67)47(69)63(82)65-42(46(68)43(66)38-36-34-32-30-28-26-18-16-14-12-10-8-6-4-2)40-87-93(83,84)92-62-58(80)54(76)53(75)57(79)61(62)90-64-59(81)49(71)48(70)45(89-64)41-88-94(85,86)91-60-55(77)51(73)50(72)52(74)56(60)78/h42-62,64,66-81H,3-41H2,1-2H3,(H,65,82)(H,83,84)(H,85,86)/t42-,43?,44?,45+,46-,47?,48+,49-,50-,51-,52+,53+,54+,55+,56+,57-,58+,59-,60-,61+,62+,64?/m0/s1
InChIKeyKVUDWRDHWCQARR-YWFWKPILSA-N
ChEBI Ontology
Outgoing Relation(s)
Ins-1-P-6-Man-β1-6-Ins-1-P-Cer(t20:0/2,3-OH-26:0) (CHEBI:60447) has functional parent Man-β1-6-Ins-1-P-Cer(t20:0/2,3-OH-26:0) (CHEBI:60436)
Ins-1-P-6-Man-β1-6-Ins-1-P-Cer(t20:0/2,3-OH-26:0) (CHEBI:60447) is a inositol phosphomannosylinositol phosphophytoceramide (CHEBI:65006)
IUPAC Names 
(2S,3S)-2-[(2,3-dihydroxyhexacosanoyl)amino]-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-[(2,3-dihydroxyhexacosanoyl)amino]-3,4-dihydroxyicosyl hydrogen phosphate]
Synonyms  Source
M(IP)2C-D (C26)SUBMITTER
M(IP)2C-4 (C26)SUBMITTER
inositol phosphomannosylinositol phosphoceramide D (C26)ChEBI
inositol phosphomannosylinositol phosphoceramide D (20:0/26:0)ChEBI
Citations