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CHEBI:65206 - Ins-1-P-6-Man-β1-3-Ins-1-P-Cer(t18:0/2-OH-26:0)(2−)

ChEBI IDCHEBI:65206
ChEBI NameIns-1-P-6-Man-β1-3-Ins-1-P-Cer(t18:0/2-OH-26:0)(2−)
Stars
ASCII NameIns-1-P-6-Man-beta1-3-Ins-1-P-Cer(t18:0/2-OH-26:0)(2-)
DefinitionAn inositol phosphomannosylinositol phosphophytoceramide(2−) having a 2-hydroxyhexacosanoyl group attached to the ceramide nitrogen. Major species at pH 7.3.
Last Modified18 January 2021
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC62H119NO26P2
Net Charge-2
Average Mass1356.563
Monoisotopic Mass1355.75065
SMILESCCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O[C@@H]2O[C@H](COP(=O)([O-])O[C@@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC
InChIInChI=1S/C62H121NO26P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-43(65)61(79)63-41(45(66)42(64)37-35-33-31-29-27-16-14-12-10-8-6-4-2)39-84-90(80,81)89-60-55(76)51(72)52(73)58(57(60)78)87-62-56(77)47(68)46(67)44(86-62)40-85-91(82,83)88-59-53(74)49(70)48(69)50(71)54(59)75/h41-60,62,64-78H,3-40H2,1-2H3,(H,63,79)(H,80,81)(H,82,83)/p-2/t41-,42+,43?,44+,45-,46+,47-,48-,49-,50+,51-,52-,53+,54+,55+,56-,57+,58+,59-,60-,62-/m0/s1
InChIKeyMHASFCCXBKBCFW-DOTAPBNDSA-L
ChEBI Ontology
Outgoing Relation(s)
Ins-1-P-6-Man-β1-3-Ins-1-P-Cer(t18:0/2-OH-26:0)(2−) (CHEBI:65206) is a inositol phosphomannosylinositol phosphophytoceramide(2−) (CHEBI:64992)
Ins-1-P-6-Man-β1-3-Ins-1-P-Cer(t18:0/2-OH-26:0)(2−) (CHEBI:65206) is conjugate base of Ins-1-P-6-Man-β1-3-Ins-1-P-Cer(t18:0/2-OH-26:0) (CHEBI:53005)
Incoming Relation(s)
Ins-1-P-6-Man-β1-3-Ins-1-P-Cer(t18:0/2-OH-26:0) (CHEBI:53005) is conjugate acid of Ins-1-P-6-Man-β1-3-Ins-1-P-Cer(t18:0/2-OH-26:0)(2−) (CHEBI:65206)
IUPAC Name 
(2S,3S,4R)-3,4-dihydroxy-2-[(2-hydroxyhexacosanoyl)amino]octadecyl (1S,2R,3S,4S,5R,6R)-2,3,4,6-tetrahydroxy-5-{[6-O-({[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphinato)-β-D-mannopyranosyl]oxy}cyclohexyl phosphate