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inositol phosphomannosylinositol phosphoceramide D (C26)

PropertiesImage
MNX_IDMNXM57457 Image of MNXM57457
referencemetacycM:CPD-16372
formulaC62H119NO27P2
global charge-2
mol weight1372.562
InChIKeySQXZQHDWAOQNOP-MJWOLKCGSA-L
InChIInChI=1S/C62H121NO27P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-42(65)45(67)61(80)63-40(44(66)41(64)36-34-32-30-28-26-16-14-12-10-8-6-4-2)38-85-91(81,82)90-60-56(78)52(74)51(73)55(77)59(60)88-62-57(79)47(69)46(68)43(87-62)39-86-92(83,84)89-58-53(75)49(71)48(70)50(72)54(58)76/h40-60,62,64-79H,3-39H2,1-2H3,(H,63,80)(H,81,82)(H,83,84)/p-2/t40-,41+,42+,43+,44-,45-,46+,47-,48-,49-,50+,51+,52+,53+,54+,55-,56+,57-,58-,59+,60+,62?/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](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)[C@H](O)CCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C62H121NO27P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-42(65)45(67)61(80)63-40(44(66)41(64)36-34-32-30-28-26-16-14-12-10-8-6-4-2)38-85-91(81,82)90-60-56(78)52(74)51(73)55(77)59(60)88-62-57(79)47(69)46(68)43(87-62)39-86-92(83,84)89-58-53(75)49(71)48(70)50(72)54(58)76/h40-60,62,64-79H,3-39H2,1-2H3,(H,63,80)(H,81,82)(H,83,84)/t40-,41+,42+,43+,44-,45-,46+,47-,48-,49-,50+,51+,52+,53+,54+,55-,56+,57-,58-,59+,60+,62?/m0/s1 Image of MNXM57457
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:61](=[N:63][C@@H:40]([CH2:38][O:85][P:91]([OH:81])(=[O:82])[O:90][C@@H:60]1[C@H:56]([OH:78])[C@H:52]([OH:74])[C@@H:51]([OH:73])[C@H:55]([OH:77])[C@H:59]1[O:88][CH:62]1[C@@H:57]([OH:79])[C@@H:47]([OH:69])[C@H:46]([OH:68])[C@@H:43]([CH2:39][O:86][P:92]([OH:83])(=[O:84])[O:89][C@H:58]2[C@H:53]([OH:75])[C@@H:49]([OH:71])[C@H:48]([OH:70])[C@@H:50]([OH:72])[C@H:54]2[OH:76])[O:87]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:64])[OH:66])[OH:80])[OH:67])[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-16372
metacycM:CPD-16372
SQXZQHDWAOQNOP-MJWOLKCGSA-L 		inositol phosphomannosylinositol phosphoceramide D (C26)
Ins-1-P-6-Man-1-2-Ins-1-P-Cer(t18:0/2,3-OH-26:0)
M(IP)2C-D (C26)
inositol phosphomannosylinositol phosphoceramide D (18:0/26:0)

seed.compound:cpd31730
seedM:cpd31730
SQXZQHDWAOQNOP-MJWOLKCGSA-L 		Ins-1-P-6-Man-1-2-Ins-1-P-Cer(t18:0/2,3-OH-26:0)
M(IP)2C-D (C26)
inositol phosphomannosylinositol phosphoceramide D (18:0/26:0)
inositol phosphomannosylinositol phosphoceramide D (C26)

CHEBI:65205
chebi:65205
SQXZQHDWAOQNOP-JPXZCIKDSA-L 		Ins-1-P-6-Man-1-6-Ins-1-P-Cer(t18:0/2,3-OH-26:0)(2-)
(2S,3S)-2-[(2,3-dihydroxyhexacosanoyl)amino]-3,4-dihydroxyoctadecyl (1R,2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-{[6-O-({[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphinato)-D-mannopyranosyl]oxy}cyclohexyl phosphate

CHEBI:62684
chebi:62684
SQXZQHDWAOQNOP-JPXZCIKDSA-N 		Ins-1-P-6-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-{[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,3S)-2-[(2,3-dihydroxyhexacosanoyl)amino]-3,4-dihydroxyoctadecyl hydrogen phosphate]
M(IP)2C-D (C26)
inositol phosphomannosylinositol phosphoceramide D (18:0/26:0)

seedM:M_cpd31730 		secondary/obsolete/fantasy identifier