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mannosylinositol phosphoceramide B' (C24)

MNXM531683 is deprecated and replaced by MNXM61060
PropertiesImage
MNX_IDMNXM61060 Image of MNXM61060
referencemetacycM:CPD-16389
formulaC54H105NO17P
global charge-1
mol weight1071.398
InChIKeyJANMBMKTOMMZFP-SPFZDKAQSA-M
InChIInChI=1S/C54H106NO17P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-42(58)53(66)55-40(41(57)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2)39-69-73(67,68)72-52-49(64)47(62)46(61)48(63)51(52)71-54-50(65)45(60)44(59)43(38-56)70-54/h40-52,54,56-65H,3-39H2,1-2H3,(H,55,66)(H,67,68)/p-1/t40-,41+,42-,43+,44+,45-,46+,47+,48-,49+,50-,51+,52+,54-/m0/s1
SMILESCCCCCCCCCCCCCCCCCCCCCC[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]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)[C@H](O)CCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C54H106NO17P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-42(58)53(66)55-40(41(57)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2)39-69-73(67,68)72-52-49(64)47(62)46(61)48(63)51(52)71-54-50(65)45(60)44(59)43(38-56)70-54/h40-52,54,56-65H,3-39H2,1-2H3,(H,55,66)(H,67,68)/t40-,41+,42-,43+,44+,45-,46+,47+,48-,49+,50-,51+,52+,54-/m0/s1 Image of MNXM61060
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][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][C@@H:42]([C:53](=[N:55][C@@H:40]([CH2:39][O:69][P:73]([OH:67])(=[O:68])[O:72][C@@H:52]1[C@H:49]([OH:64])[C@H:47]([OH:62])[C@@H:46]([OH:61])[C@H:48]([OH:63])[C@H:51]1[O:71][C@H:54]1[C@@H:50]([OH:65])[C@@H:45]([OH:60])[C@H:44]([OH:59])[C@@H:43]([CH2:38][OH:56])[O:70]1)[C@@H:41]([CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:57])[OH:66])[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

metacyc.compound:CPD-16389
metacycM:CPD-16389
JANMBMKTOMMZFP-SPFZDKAQSA-M 		mannosylinositol phosphoceramide B' (C24)
MIPC-2' (C24)
MIPC-B' (C24)
Man-beta1-2-Ins-1-P-Cer(d18:0/2-OH-24:0)

seed.compound:cpd32274
seedM:cpd32274
JANMBMKTOMMZFP-SPFZDKAQSA-M 		MIPC-2' (C24)
MIPC-B' (C24)
Man-beta1-2-Ins-1-P-Cer(d18:0/2-OH-24:0)
mannosylinositol phosphoceramide B' (C24)

CHEBI:65158
chebi:65158
JANMBMKTOMMZFP-XFLQRXLWSA-M 		Man-beta1-6-Ins-1-P-Cer(d18:0/2-OH-24:0)(1-)
(2S,3R)-3-hydroxy-2-[(2-hydroxytetracosanoyl)amino]octadecyl (1R,2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-(beta-D-mannopyranosyloxy)cyclohexyl phosphate

CHEBI:60418
chebi:60418
JANMBMKTOMMZFP-XFLQRXLWSA-N 		Man-beta1-6-Ins-1-P-Cer(d18:0/2-OH-24:0)
(2S,3R)-3-hydroxy-2-[(2-hydroxytetracosanoyl)amino]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-hydroxy-2-[(2-hydroxytetracosanoyl)amino]octadecyl hydrogen phosphate}
MIPC-2' (C24)
MIPC-B' (C24)
mannosylinositol phosphorylceramide B'
mannosylinositol phosphorylceramide B' (18:0/24:0)
mannosylinositol phosphorylceramide B' (C24)

SLM:000509012
slm:000509012
JANMBMKTOMMZFP-ORKIQSDMSA-M 		Mannosylinositol-1-phospho-N-(2-hydroxytetracosanoyl)-sphinganine
MIPC(d18:0/24:0(2OH))
Mannosylinositol-1-phospho-N-2-hydroxytetracosanoyl-sphinganine
Mannosylinositol-1-phosphoceramide (d18:0/24:0(2OH))
N-(2-hydroxytetracosanoyl)-sphinganine-1-O-[D-mannopyranosyl-alpha1-2-myo-inositol-1-phosphate]

seedM:M_cpd32274 		secondary/obsolete/fantasy identifier