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Man-beta1-6-Ins-1-P-Cer(t18:0/24:0)

PropertiesImage
MNX_IDMNXM61066 Image of MNXM61066
referencechebi:60420
formulaC54H106NO17P
global charge0
mol weight1072.406
InChIKeyXALIYEYAGRETKK-YUUNQRIMSA-N
InChIInChI=1S/C54H106NO17P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-43(58)55-40(44(59)41(57)36-34-32-30-28-26-16-14-12-10-8-6-4-2)39-69-73(67,68)72-53-50(65)48(63)47(62)49(64)52(53)71-54-51(66)46(61)45(60)42(38-56)70-54/h40-42,44-54,56-57,59-66H,3-39H2,1-2H3,(H,55,58)(H,67,68)/t40-,41?,42+,44-,45+,46-,47+,48+,49-,50+,51-,52+,53+,54-/m0/s1
SMILESCCCCCCCCCCCCCCCCCCCCCCCC(=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]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)[C@H](O)C(O)CCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C54H106NO17P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-43(58)55-40(44(59)41(57)36-34-32-30-28-26-16-14-12-10-8-6-4-2)39-69-73(67,68)72-53-50(65)48(63)47(62)49(64)52(53)71-54-51(66)46(61)45(60)42(38-56)70-54/h40-42,44-54,56-57,59-66H,3-39H2,1-2H3,(H,55,58)(H,67,68)/t40-,41?,42+,44-,45+,46-,47+,48+,49-,50+,51-,52+,53+,54-/m0/s1 Image of MNXM61066
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][C:43](=[N:55][C@@H:40]([CH2:39][O:69][P:73]([OH:67])(=[O:68])[O:72][C@@H:53]1[C@H:50]([OH:65])[C@H:48]([OH:63])[C@@H:47]([OH:62])[C@H:49]([OH:64])[C@H:52]1[O:71][C@H:54]1[C@@H:51]([OH:66])[C@@H:46]([OH:61])[C@H:45]([OH:60])[C@@H:42]([CH2:38][OH:56])[O:70]1)[C@@H:44]([CH:41]([CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:57])[OH:59])[OH:58]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:60420
chebi:60420
XALIYEYAGRETKK-YUUNQRIMSA-N 		Man-beta1-6-Ins-1-P-Cer(t18:0/24:0)
(2S,3S)-3,4-dihydroxy-2-(tetracosanoylamino)octadecyl (1R,2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-(beta-D-mannopyranosyloxy)cyclohexyl hydrogen phosphate
1D-6-O-(beta-D-mannopyranosyl)-myo-inositol 1-[(2S,3R)-3,4-dihydroxy-2-(tetracosanoylamino)octadecyl hydrogen phosphate]
MIPC-2 (C24)
MIPC-B (C24)
mannosylinositol phosphorylceramide B (18:0/24:0)
mannosylinositol phosphorylceramide B (C24)

seed.compound:cpd33710
seedM:cpd33710
XALIYEYAGRETKK-YUUNQRIMSA-M 		MIPC-2 (C24
MIPC-B (C24)
Man-beta1-2-Ins-1-P-Cer(t18:0/24:0)
mannosylinositol phosphoceramide B (C24)
mannosylinositol phosphorylceramide B (18:0/24:0)
mannosylinositol phosphorylceramide B (C24)

CHEBI:65160
chebi:65160
XALIYEYAGRETKK-YUUNQRIMSA-M 		Man-beta1-6-Ins-1-P-Cer(t18:0/24:0)(1-)
(2S,3S)-3,4-dihydroxy-2-(tetracosanoylamino)octadecyl (1R,2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-(beta-D-mannopyranosyloxy)cyclohexyl phosphate

metacyc.compound:CPD-16390
metacycM:CPD-16390
XALIYEYAGRETKK-YUUNQRIMSA-M 		mannosylinositol phosphoceramide B (C24)
MIPC-2 (C24
MIPC-B (C24)
Man-beta1-2-Ins-1-P-Cer(t18:0/24:0)
mannosylinositol phosphorylceramide B (18:0/24:0)
mannosylinositol phosphorylceramide B (C24)

seedM:M_cpd33710 		secondary/obsolete/fantasy identifier