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inositol phosphomannosylinositol phosphoceramide B' (C24)

PropertiesImage
MNX_IDMNXM57463 Image of MNXM57463
referencemetacycM:CPD-16365
formulaC60H115NO25P2
global charge-2
mol weight1312.51
InChIKeyYIOXLZJXYRDBIN-BNZHPDCNSA-L
InChIInChI=1S/C60H117NO25P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-42(63)59(76)61-40(41(62)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2)38-81-87(77,78)86-58-54(74)50(70)49(69)53(73)57(58)84-60-55(75)45(65)44(64)43(83-60)39-82-88(79,80)85-56-51(71)47(67)46(66)48(68)52(56)72/h40-58,60,62-75H,3-39H2,1-2H3,(H,61,76)(H,77,78)(H,79,80)/p-2/t40-,41+,42-,43+,44+,45-,46-,47-,48+,49+,50+,51+,52+,53-,54+,55-,56-,57+,58+,60-/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](COP(=O)([O-])O[C@@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O)[C@H](O)CCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C60H117NO25P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-42(63)59(76)61-40(41(62)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2)38-81-87(77,78)86-58-54(74)50(70)49(69)53(73)57(58)84-60-55(75)45(65)44(64)43(83-60)39-82-88(79,80)85-56-51(71)47(67)46(66)48(68)52(56)72/h40-58,60,62-75H,3-39H2,1-2H3,(H,61,76)(H,77,78)(H,79,80)/t40-,41+,42-,43+,44+,45-,46-,47-,48+,49+,50+,51+,52+,53-,54+,55-,56-,57+,58+,60-/m0/s1 Image of MNXM57463
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:59](=[N:61][C@@H:40]([CH2:38][O:81][P:87]([OH:77])(=[O:78])[O:86][C@@H:58]1[C@H:54]([OH:74])[C@H:50]([OH:70])[C@@H:49]([OH:69])[C@H:53]([OH:73])[C@H:57]1[O:84][C@H:60]1[C@@H:55]([OH:75])[C@@H:45]([OH:65])[C@H:44]([OH:64])[C@@H:43]([CH2:39][O:82][P:88]([OH:79])(=[O:80])[O:85][C@H:56]2[C@H:51]([OH:71])[C@@H:47]([OH:67])[C@H:46]([OH:66])[C@@H:48]([OH:68])[C@H:52]2[OH:72])[O:83]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:62])[OH:76])[OH:63]
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-16365
metacycM:CPD-16365
YIOXLZJXYRDBIN-BNZHPDCNSA-L 		inositol phosphomannosylinositol phosphoceramide B' (C24)
Ins-1-P-6-Man-beta(1-2)-Ins-1-P-Cer(d18:0/2-OH-24:0)
M(IP)2C-2' (C24)
M(IP)2C-B' (C24)
inositol phosphomannosylinositol phosphoceramide B' (18:0/24:0)

SLM:000509096
slm:000509096
YIOXLZJXYRDBIN-QMMSRIACSA-L 		Inositol phosphomannosylinositol-1-phospho-N-(2-hydroxytetracosanoyl)-sphinganine
Inositol phosphomannosylinositol-1-phospho-N-2-hydroxytetracosanoyl-sphinganine
Inositol phosphomannosylinositol-1-phosphoceramide (d18:0/24:0(2OH))
M(IP)2C(d18:0/24:0(2OH))
N-(2-hydroxytetracosanoyl)-sphinganine-1-O-[myo-inositol-1-phosphoryl-6-D-mannopyranosyl-alpha1-2-myo-inositol-1-phosphate]

seed.compound:cpd35210
seedM:cpd35210
YIOXLZJXYRDBIN-BNZHPDCNSA-L 		Ins-1-P-6-Man-beta(1-2)-Ins-1-P-Cer(d18:0/2-OH-24:0)
M(IP)2C-2' (C24)
M(IP)2C-B' (C24)
inositol phosphomannosylinositol phosphoceramide B' (18:0/24:0)
inositol phosphomannosylinositol phosphoceramide B' (C24)

CHEBI:65196
chebi:65196
YIOXLZJXYRDBIN-CZJBKYDDSA-L 		Ins-1-P-6-Man-beta1-6-Ins-1-P-Cer(d18:0/2-OH-24:0)(2-)
(2S,3R)-3-hydroxy-2-[(2-hydroxytetracosanoyl)amino]octadecyl (1R,2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-{[6-O-(hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphinato)-beta-D-mannopyranosyl]oxy}cyclohexyl phosphate

CHEBI:60441
chebi:60441
YIOXLZJXYRDBIN-CZJBKYDDSA-N 		Ins-1-P-6-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-{[6-O-(hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)-beta-D-mannopyranosyl]oxy}cyclohexyl hydrogen phosphate
1D-6-O-{[6-O-(hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)-beta-D-mannopyranosyl]}-myo-inositol 1-[(2S,3R)-3-hydroxy-2-[(2-hydroxytetracosanoyl)amino]octadecyl hydrogen phosphate]
M(IP)2C-2' (C24)
M(IP)2C-B' (C24)
inositol phosphomannosylinositol phosphoceramide B' (18:0/24:0)
inositol phosphomannosylinositol phosphoceramide B' (C24)

seedM:M_cpd35210 		secondary/obsolete/fantasy identifier