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mannosylinositol phosphorylceramide D (C26)

MNXM531688 is deprecated and replaced by MNXM61054
PropertiesImage
MNX_IDMNXM61054 Image of MNXM61054
referencemetacycM:CPD-16396
formulaC56H109NO19P
global charge-1
mol weight1131.45
InChIKeyCDDZETQXNQBXOI-MKKPDJAXSA-M
InChIInChI=1S/C56H110NO19P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-42(60)45(62)55(70)57-40(44(61)41(59)36-34-32-30-28-26-16-14-12-10-8-6-4-2)39-73-77(71,72)76-54-51(68)49(66)48(65)50(67)53(54)75-56-52(69)47(64)46(63)43(38-58)74-56/h40-54,56,58-69H,3-39H2,1-2H3,(H,57,70)(H,71,72)/p-1/t40-,41+,42+,43+,44-,45-,46+,47-,48+,49+,50-,51+,52-,53+,54+,56?/m0/s1
SMILESCCCCCCCCCCCCCCCCCCCCCCC[C@@H](O)[C@H](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](CO)[C@@H](O)[C@H](O)[C@@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C56H110NO19P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-42(60)45(62)55(70)57-40(44(61)41(59)36-34-32-30-28-26-16-14-12-10-8-6-4-2)39-73-77(71,72)76-54-51(68)49(66)48(65)50(67)53(54)75-56-52(69)47(64)46(63)43(38-58)74-56/h40-54,56,58-69H,3-39H2,1-2H3,(H,57,70)(H,71,72)/t40-,41+,42+,43+,44-,45-,46+,47-,48+,49+,50-,51+,52-,53+,54+,56?/m0/s1 Image of MNXM61054
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@H:42]([C@@H:45]([C:55](=[N:57][C@@H:40]([CH2:39][O:73][P:77]([OH:71])(=[O:72])[O:76][C@@H:54]1[C@H:51]([OH:68])[C@H:49]([OH:66])[C@@H:48]([OH:65])[C@H:50]([OH:67])[C@H:53]1[O:75][CH:56]1[C@@H:52]([OH:69])[C@@H:47]([OH:64])[C@H:46]([OH:63])[C@@H:43]([CH2:38][OH:58])[O:74]1)[C@@H:44]([C@@H: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:59])[OH:61])[OH:70])[OH:62])[OH:60]
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

metacyc.compound:CPD-16396
metacycM:CPD-16396
CDDZETQXNQBXOI-MKKPDJAXSA-M 		mannosylinositol phosphorylceramide D (C26)
MIPC-D (t18:0/2,3-OH-26:0)
Man-1-2-Ins-1-P-Cer(t18:0/2,3-OH-26:0)
mannosylinositol phosphorylceramide D

seed.compound:cpd32851
seedM:cpd32851
CDDZETQXNQBXOI-MKKPDJAXSA-M 		MIPC-D (t18:0/2,3-OH-26:0)
Man-1-2-Ins-1-P-Cer(t18:0/2,3-OH-26:0)
mannosylinositol phosphorylceramide D
mannosylinositol phosphorylceramide D (C26)

CHEBI:65169
chebi:65169
CDDZETQXNQBXOI-TVABIWGSSA-M 		Man-1-6-Ins-1-P-Cer(t18:0/2,3-OH-26:0)(1-)
(2S,3S)-2-[(2,3-dihydroxyhexacosanoyl)amino]-3,4-dihydroxyoctadecyl (1S,2R,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(D-mannopyranosyloxy)cyclohexyl phosphate

CHEBI:62683
chebi:62683
CDDZETQXNQBXOI-TVABIWGSSA-N 		Man-1-6-Ins-1-P-Cer(t18:0/2,3-OH-26:0)
(2S,3S)-2-[(2,3-dihydroxyhexacosanoyl)amino]-3,4-dihydroxyoctadecyl (1R,2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-(D-mannopyranosyloxy)cyclohexyl hydrogen phosphate
1D-6-O-(D-mannopyranosyl)-myo-inositol 1-[(2S,3S)-2-[(2,3-dihydroxyhexacosanoyl)amino]-3,4-dihydroxyoctadecyl hydrogen phosphate]
MIPC-D (t18:0/2,3-OH-26:0)
mannosylinositol phosphorylceramide D

seedM:M_cpd32851 		secondary/obsolete/fantasy identifier