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Man-beta1-6-Ins-1-P-Cer(d18:0/24:0)

PropertiesImage
MNX_IDMNXM61061 Image of MNXM61061
referencechebi:60416
formulaC54H106NO16P
global charge0
mol weight1056.407
InChIKeyGZIVPMFXRVKOKZ-YYMTZJTJSA-N
InChIInChI=1S/C54H106NO16P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-44(58)55-41(42(57)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2)40-68-72(66,67)71-53-50(64)48(62)47(61)49(63)52(53)70-54-51(65)46(60)45(59)43(39-56)69-54/h41-43,45-54,56-57,59-65H,3-40H2,1-2H3,(H,55,58)(H,66,67)/t41-,42+,43+,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)CCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C54H106NO16P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-44(58)55-41(42(57)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2)40-68-72(66,67)71-53-50(64)48(62)47(61)49(63)52(53)70-54-51(65)46(60)45(59)43(39-56)69-54/h41-43,45-54,56-57,59-65H,3-40H2,1-2H3,(H,55,58)(H,66,67)/t41-,42+,43+,45+,46-,47+,48+,49-,50+,51-,52+,53+,54-/m0/s1 Image of MNXM61061
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][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][C:44](=[N:55][C@@H:41]([CH2:40][O:68][P:72]([OH:66])(=[O:67])[O:71][C@@H:53]1[C@H:50]([OH:64])[C@H:48]([OH:62])[C@@H:47]([OH:61])[C@H:49]([OH:63])[C@H:52]1[O:70][C@H:54]1[C@@H:51]([OH:65])[C@@H:46]([OH:60])[C@H:45]([OH:59])[C@@H:43]([CH2:39][OH:56])[O:69]1)[C@@H:42]([CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:57])[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:60416
chebi:60416
GZIVPMFXRVKOKZ-YYMTZJTJSA-N 		Man-beta1-6-Ins-1-P-Cer(d18:0/24:0)
(2S,3R)-3-hydroxy-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-hydroxy-2-(tetracosanoylamino)octadecyl hydrogen phosphate]
MIPC-1 (C24)
MIPC-A (C24)
mannosylinositol phosphorylceramide A (18:0/24:0)
mannosylinositol phosphorylceramide A (C24)

seed.compound:cpd35115
seedM:cpd35115
GZIVPMFXRVKOKZ-YYMTZJTJSA-M 		MIPC-1 (C24)
MIPC-A (C24)
Man-beta1-2-Ins-1-P-Cer(d18:0/24:0)
mannosylinositol phosphorylceramide A (18:0/24:0)
mannosylinositol phosphorylceramide A (C24)

CHEBI:65156
chebi:65156
GZIVPMFXRVKOKZ-YYMTZJTJSA-M 		Man-beta1-6-Ins-1-P-Cer(d18:0/24:0)
(2S,3S)-3-hydroxy-2-(tetracosanoylamino)octadecyl (1R,2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-(beta-D-mannopyranosyloxy)cyclohexyl phosphate
Man-beta1-6-Ins-1-P-Cer(d18:0/24:0)(1-)

SLM:000508999
slm:000508999
GZIVPMFXRVKOKZ-WFFUTTNMSA-M 		Mannosylinositol-1-phospho-N-(tetracosanoyl)-sphinganine
MIPC(d18:0/24:0)
Mannosylinositol-1-phospho-N-tetracosanoyl-sphinganine
Mannosylinositol-1-phosphoceramide (d18:0/24:0)
N-(tetracosanoyl)-sphinganine-1-O-[D-mannopyranosyl-alpha1-2-myo-inositol-1-phosphate]

metacyc.compound:CPD-16387
metacycM:CPD-16387
GZIVPMFXRVKOKZ-YYMTZJTJSA-M 		mannosylinositol phosphorylceramide A (C24)
MIPC-1 (C24)
MIPC-A (C24)
Man-beta1-2-Ins-1-P-Cer(d18:0/24:0)
mannosylinositol phosphorylceramide A (18:0/24:0)

seedM:M_cpd35115 		secondary/obsolete/fantasy identifier