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CHEBI:65205 - Ins-1-P-6-Man-1-6-Ins-1-P-Cer(t18:0/2,3-OH-26:0)(2−)

ChEBI IDCHEBI:65205
ChEBI NameIns-1-P-6-Man-1-6-Ins-1-P-Cer(t18:0/2,3-OH-26:0)(2−)
Stars
ASCII NameIns-1-P-6-Man-1-6-Ins-1-P-Cer(t18:0/2,3-OH-26:0)(2-)
DefinitionAn inositol phosphomannosylinositol phosphophytoceramide(2−) having an inositol 1-phosphoryl group attached to the mannose residue (at the 6-position) and a hexacosanoyl group attached to the ceramide nitrogen, hydroxylation at C-4 of the C18 sphingoid base, and hydroxylation at C-2 and C-3 of the C26 very-long-chain fatty acid. Major species at pH 7.3.
Last Modified18 January 2021
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC62H119NO27P2
Net Charge-2
Average Mass1372.562
Monoisotopic Mass1371.74557
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)CCCCCCCCCCCCCC
InChIInChI=1S/C62H121NO27P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-42(65)45(67)61(80)63-40(44(66)41(64)36-34-32-30-28-26-16-14-12-10-8-6-4-2)38-85-91(81,82)90-60-56(78)52(74)51(73)55(77)59(60)88-62-57(79)47(69)46(68)43(87-62)39-86-92(83,84)89-58-53(75)49(71)48(70)50(72)54(58)76/h40-60,62,64-79H,3-39H2,1-2H3,(H,63,80)(H,81,82)(H,83,84)/p-2/t40-,41?,42?,43+,44-,45?,46+,47-,48-,49-,50+,51+,52+,53+,54+,55-,56+,57-,58-,59+,60+,62?/m0/s1
InChIKeySQXZQHDWAOQNOP-JPXZCIKDSA-L
ChEBI Ontology
Outgoing Relation(s)
Ins-1-P-6-Man-1-6-Ins-1-P-Cer(t18:0/2,3-OH-26:0)(2−) (CHEBI:65205) is a inositol phosphomannosylinositol phosphophytoceramide(2−) (CHEBI:64992)
Ins-1-P-6-Man-1-6-Ins-1-P-Cer(t18:0/2,3-OH-26:0)(2−) (CHEBI:65205) is conjugate base of Ins-1-P-6-Man-1-6-Ins-1-P-Cer(t18:0/2,3-OH-26:0) (CHEBI:62684)
Incoming Relation(s)
Ins-1-P-6-Man-1-6-Ins-1-P-Cer(t18:0/2,3-OH-26:0) (CHEBI:62684) is conjugate acid of Ins-1-P-6-Man-1-6-Ins-1-P-Cer(t18:0/2,3-OH-26:0)(2−) (CHEBI:65205)
IUPAC Name 
(2S,3S)-2-[(2,3-dihydroxyhexacosanoyl)amino]-3,4-dihydroxyoctadecyl (1R,2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-{[6-O-({[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphinato)-D-mannopyranosyl]oxy}cyclohexyl phosphate