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inositol phosphomannosylinositol phosphoceramide B' (C26)

PropertiesImage
MNX_IDMNXM57453 Image of MNXM57453
referencemetacycM:CPD-16367
formulaC62H119NO25P2
global charge-2
mol weight1340.564
InChIKeyKQAGNTYMDLIIEG-RZVRETCDSA-L
InChIInChI=1S/C62H121NO25P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-44(65)61(78)63-42(43(64)38-36-34-32-30-28-26-16-14-12-10-8-6-4-2)40-83-89(79,80)88-60-56(76)52(72)51(71)55(75)59(60)86-62-57(77)47(67)46(66)45(85-62)41-84-90(81,82)87-58-53(73)49(69)48(68)50(70)54(58)74/h42-60,62,64-77H,3-41H2,1-2H3,(H,63,78)(H,79,80)(H,81,82)/p-2/t42-,43+,44-,45+,46+,47-,48-,49-,50+,51+,52+,53+,54+,55-,56+,57-,58-,59+,60+,62?/m0/s1
SMILESCCCCCCCCCCCCCCCCCCCCCCCC[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](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/C62H121NO25P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-44(65)61(78)63-42(43(64)38-36-34-32-30-28-26-16-14-12-10-8-6-4-2)40-83-89(79,80)88-60-56(76)52(72)51(71)55(75)59(60)86-62-57(77)47(67)46(66)45(85-62)41-84-90(81,82)87-58-53(73)49(69)48(68)50(70)54(58)74/h42-60,62,64-77H,3-41H2,1-2H3,(H,63,78)(H,79,80)(H,81,82)/t42-,43+,44-,45+,46+,47-,48-,49-,50+,51+,52+,53+,54+,55-,56+,57-,58-,59+,60+,62?/m0/s1 Image of MNXM57453
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][CH2:39][C@@H:44]([C:61](=[N:63][C@@H:42]([CH2:40][O:83][P:89]([OH:79])(=[O:80])[O:88][C@@H:60]1[C@H:56]([OH:76])[C@H:52]([OH:72])[C@@H:51]([OH:71])[C@H:55]([OH:75])[C@H:59]1[O:86][CH:62]1[C@@H:57]([OH:77])[C@@H:47]([OH:67])[C@H:46]([OH:66])[C@@H:45]([CH2:41][O:84][P:90]([OH:81])(=[O:82])[O:87][C@H:58]2[C@H:53]([OH:73])[C@@H:49]([OH:69])[C@H:48]([OH:68])[C@@H:50]([OH:70])[C@H:54]2[OH:74])[O:85]1)[C@@H:43]([CH2:38][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:64])[OH:78])[OH:65]
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-16367
metacycM:CPD-16367
KQAGNTYMDLIIEG-RZVRETCDSA-L 		inositol phosphomannosylinositol phosphoceramide B' (C26)
Ins-1-P-6-Man-1-2-Ins-1-P-Cer(d18:0/2-OH-26:0)
M(IP)2C-2'
M(IP)2C-B'
mannose-(inositol-P)2-ceramide-B'

SLM:000509097
slm:000509097
KQAGNTYMDLIIEG-SOZYTLDBSA-L 		Inositol phosphomannosylinositol-1-phospho-N-(2-hydroxyhexacosanoyl)-sphinganine
Inositol phosphomannosylinositol-1-phospho-N-2-hydroxyhexacosanoyl-sphinganine
Inositol phosphomannosylinositol-1-phosphoceramide (d18:0/26:0(2OH))
M(IP)2C(d18:0/26:0(2OH))
N-(2-hydroxyhexacosanoyl)-sphinganine-1-O-[myo-inositol-1-phosphoryl-6-D-mannopyranosyl-alpha1-2-myo-inositol-1-phosphate]

seed.compound:cpd35688
seedM:cpd35688
KQAGNTYMDLIIEG-RZVRETCDSA-L 		Ins-1-P-6-Man-1-2-Ins-1-P-Cer(d18:0/2-OH-26:0)
M(IP)2C-2'
M(IP)2C-B'
inositol phosphomannosylinositol phosphoceramide B' (C26)
mannose-(inositol-P)2-ceramide-B'

CHEBI:65200
chebi:65200
KQAGNTYMDLIIEG-SOZYTLDBSA-L 		Ins-1-P-6-Man-1-6-Ins-1-P-Cer(d18:0/2-OH-26:0)(2-)
(2S,3R)-3-hydroxy-2-[(2-hydroxyhexacosanoyl)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)-D-mannopyranosyl]oxy}cyclohexyl phosphate

CHEBI:62717
chebi:62717
KQAGNTYMDLIIEG-SOZYTLDBSA-N 		Ins-1-P-6-Man-1-6-Ins-1-P-Cer(d18:0/2-OH-26:0)
(2S,3R)-3-hydroxy-2-[(2-hydroxyhexacosanoyl)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)-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)-D-mannopyranosyl]}-myo-inositol 1-[(2S,3R)-3-hydroxy-2-[(2-hydroxyhexacosanoyl)amino]octadecyl hydrogen phosphate]
M(IP)2C-2'
M(IP)2C-B'
mannose-(inositol-P)2-ceramide-B'

seedM:M_cpd35688 		secondary/obsolete/fantasy identifier