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inositol phosphomannosylinositol phosphoceramide A (C26)

PropertiesImage
MNX_IDMNXM57454 Image of MNXM57454
referencemetacycM:CPD-16364
formulaC62H119NO24P2
global charge-2
mol weight1324.565
InChIKeyUWNGTCLGBRQASV-PYKGJVMISA-L
InChIInChI=1S/C62H121NO24P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-46(65)63-43(44(64)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2)41-82-88(78,79)87-61-57(76)53(72)52(71)56(75)60(61)85-62-58(77)48(67)47(66)45(84-62)42-83-89(80,81)86-59-54(73)50(69)49(68)51(70)55(59)74/h43-45,47-62,64,66-77H,3-42H2,1-2H3,(H,63,65)(H,78,79)(H,80,81)/p-2/t43-,44+,45+,47+,48-,49-,50-,51+,52+,53+,54+,55+,56-,57+,58-,59-,60+,61+,62-/m0/s1
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC(=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/C62H121NO24P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-46(65)63-43(44(64)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2)41-82-88(78,79)87-61-57(76)53(72)52(71)56(75)60(61)85-62-58(77)48(67)47(66)45(84-62)42-83-89(80,81)86-59-54(73)50(69)49(68)51(70)55(59)74/h43-45,47-62,64,66-77H,3-42H2,1-2H3,(H,63,65)(H,78,79)(H,80,81)/t43-,44+,45+,47+,48-,49-,50-,51+,52+,53+,54+,55+,56-,57+,58-,59-,60+,61+,62-/m0/s1 Image of MNXM57454
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][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][C:46](=[N:63][C@@H:43]([CH2:41][O:82][P:88]([OH:78])(=[O:79])[O:87][C@@H:61]1[C@H:57]([OH:76])[C@H:53]([OH:72])[C@@H:52]([OH:71])[C@H:56]([OH:75])[C@H:60]1[O:85][C@H:62]1[C@@H:58]([OH:77])[C@@H:48]([OH:67])[C@H:47]([OH:66])[C@@H:45]([CH2:42][O:83][P:89]([OH:80])(=[O:81])[O:86][C@H:59]2[C@H:54]([OH:73])[C@@H:50]([OH:69])[C@H:49]([OH:68])[C@@H:51]([OH:70])[C@H:55]2[OH:74])[O:84]1)[C@@H:44]([CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:64])[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-16364
metacycM:CPD-16364
UWNGTCLGBRQASV-PYKGJVMISA-L 		inositol phosphomannosylinositol phosphoceramide A (C26)
Ins-1-P-6-Man-1-2-Ins-1-P-Cer(d18:0/26:0)
M(IP)2C-1
M(IP)2C-A
mannose-(inositol-P)2-ceramide-A

SLM:000509084
slm:000509084
UWNGTCLGBRQASV-AXTQDXTKSA-L 		Inositol phosphomannosylinositol-1-phospho-N-(hexacosanoyl)-sphinganine
Inositol phosphomannosylinositol-1-phospho-N-hexacosanoyl-sphinganine
Inositol phosphomannosylinositol-1-phosphoceramide (d18:0/26:0)
M(IP)2C(d18:0/26:0)
N-(hexacosanoyl)-sphinganine-1-O-[myo-inositol-1-phosphoryl-6-D-mannopyranosyl-alpha1-2-myo-inositol-1-phosphate]

seed.compound:cpd32329
seedM:cpd32329
UWNGTCLGBRQASV-PYKGJVMISA-L 		Ins-1-P-6-Man-1-2-Ins-1-P-Cer(d18:0/26:0)
M(IP)2C-1
M(IP)2C-A
inositol phosphomannosylinositol phosphoceramide A (C26)
mannose-(inositol-P)2-ceramide-A

CHEBI:65194
chebi:65194
UWNGTCLGBRQASV-AXTQDXTKSA-L 		Ins-1-P-6-Man-1-6-Ins-1-P-Cer(d18:0/26:0)(2-)
(2S,3R)-2-(hexacosanoylamino)-3-hydroxyoctadecyl (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:62715
chebi:62715
UWNGTCLGBRQASV-AXTQDXTKSA-N 		Ins-1-P-6-Man-1-6-Ins-1-P-Cer(d18:0/26:0)
(2S,3R)-2-(hexacosanoylamino)-3-hydroxyoctadecyl (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)-2-(hexacosanoylamino)-3-hydroxyoctadecyl hydrogen phosphate]
M(IP)2C-1
M(IP)2C-A
mannose-(inositol-P)2-ceramide-A

seedM:M_cpd32329 		secondary/obsolete/fantasy identifier