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inositol phosphomannosylinositol phosphoceramide C (C24)

PropertiesImage
MNX_IDMNXM57468 Image of MNXM57468
referencemetacycM:CPD-16369
formulaC60H115NO26P2
global charge-2
mol weight1328.509
InChIKeyJNTPDJPEDWWEHF-QBIFHJBISA-L
InChIInChI=1S/C60H117NO26P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-41(63)59(77)61-39(43(64)40(62)35-33-31-29-27-25-16-14-12-10-8-6-4-2)37-82-88(78,79)87-58-54(75)50(71)49(70)53(74)57(58)85-60-55(76)45(66)44(65)42(84-60)38-83-89(80,81)86-56-51(72)47(68)46(67)48(69)52(56)73/h39-58,60,62-76H,3-38H2,1-2H3,(H,61,77)(H,78,79)(H,80,81)/p-2/t39-,40+,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]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/C60H117NO26P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-41(63)59(77)61-39(43(64)40(62)35-33-31-29-27-25-16-14-12-10-8-6-4-2)37-82-88(78,79)87-58-54(75)50(71)49(70)53(74)57(58)85-60-55(76)45(66)44(65)42(84-60)38-83-89(80,81)86-56-51(72)47(68)46(67)48(69)52(56)73/h39-58,60,62-76H,3-38H2,1-2H3,(H,61,77)(H,78,79)(H,80,81)/t39-,40+,41-,42+,43-,44+,45-,46-,47-,48+,49+,50+,51+,52+,53-,54+,55-,56-,57+,58+,60?/m0/s1 Image of MNXM57468
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][C@@H:41]([C:59](=[N:61][C@@H:39]([CH2:37][O:82][P:88]([OH:78])(=[O:79])[O:87][C@@H:58]1[C@H:54]([OH:75])[C@H:50]([OH:71])[C@@H:49]([OH:70])[C@H:53]([OH:74])[C@H:57]1[O:85][CH:60]1[C@@H:55]([OH:76])[C@@H:45]([OH:66])[C@H:44]([OH:65])[C@@H:42]([CH2:38][O:83][P:89]([OH:80])(=[O:81])[O:86][C@H:56]2[C@H:51]([OH:72])[C@@H:47]([OH:68])[C@H:46]([OH:67])[C@@H:48]([OH:69])[C@H:52]2[OH:73])[O:84]1)[C@@H:43]([C@@H:40]([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:62])[OH:64])[OH:77])[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-16369
metacycM:CPD-16369
JNTPDJPEDWWEHF-QBIFHJBISA-L 		inositol phosphomannosylinositol phosphoceramide C (C24)
Ins-1-P-6-Man-beta(1-2)-Ins-1-P-Cer(t18:0/2-OH-24:0)
M(IP)2C-3 (C24)
M(IP)2C-C (C24)
inositol phosphomannosylinositol phosphoceramide C (18:0/24:0)

SLM:000509117
slm:000509117
JNTPDJPEDWWEHF-VKQVZHLUSA-L 		Inositol phosphomannosylinositol-1-phospho-N-(2-hydroxytetracosanoyl)-4R-hydroxysphinganine
Inositol phosphomannosylinositol-1-phospho-N-2-hydroxytetracosanoyl-4-hydroxysphinganine
Inositol phosphomannosylinositol-1-phosphoceramide (t18:0/24:0(2OH))
M(IP)2C(t18:0/24:0(2OH))
N-(2-hydroxytetracosanoyl)-4R-hydroxysphinganine-1-O-[myo-inositol-1-phosphoryl-6-D-mannopyranosyl-alpha1-2-myo-inositol-1-phosphate]

seed.compound:cpd31803
seedM:cpd31803
JNTPDJPEDWWEHF-QBIFHJBISA-L 		Ins-1-P-6-Man-beta(1-2)-Ins-1-P-Cer(t18:0/2-OH-24:0)
M(IP)2C-3 (C24)
M(IP)2C-C (C24)
inositol phosphomannosylinositol phosphoceramide C (18:0/24:0)
inositol phosphomannosylinositol phosphoceramide C (C24)

seedM:M_cpd31803 		secondary/obsolete/fantasy identifier