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Ins-1-P-Cer(d18:0/2-OH-26:0)

PropertiesImage
MNX_IDMNXM57475 Image of MNXM57475
referencechebi:65094
formulaC50H99NO12P
global charge-1
mol weight937.311
InChIKeyXYCNASUKVOVNSX-JZZCRTNLSA-M
InChIInChI=1S/C50H100NO12P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-43(53)50(59)51-41(42(52)38-36-34-32-30-28-26-16-14-12-10-8-6-4-2)40-62-64(60,61)63-49-47(57)45(55)44(54)46(56)48(49)58/h41-49,52-58H,3-40H2,1-2H3,(H,51,59)(H,60,61)/p-1/t41-,42+,43-,44-,45-,46+,47+,48+,49-/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]1O)[C@H](O)CCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C50H100NO12P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-43(53)50(59)51-41(42(52)38-36-34-32-30-28-26-16-14-12-10-8-6-4-2)40-62-64(60,61)63-49-47(57)45(55)44(54)46(56)48(49)58/h41-49,52-58H,3-40H2,1-2H3,(H,51,59)(H,60,61)/t41-,42+,43-,44-,45-,46+,47+,48+,49-/m0/s1 Image of MNXM57475
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:43]([C:50](=[N:51][C@@H:41]([CH2:40][O:62][P:64]([OH:60])(=[O:61])[O:63][C@H:49]1[C@H:47]([OH:57])[C@@H:45]([OH:55])[C@H:44]([OH:54])[C@@H:46]([OH:56])[C@H:48]1[OH:58])[C@@H:42]([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:52])[OH:59])[OH:53]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:65094
chebi:65094
XYCNASUKVOVNSX-JZZCRTNLSA-M 		Ins-1-P-Cer(d18:0/2-OH-26:0)
(2S,3R)-3-hydroxy-2-{[(2S)-2-hydroxyhexacosanoyl]amino}octadecyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate
Ins-1-P-Cer(d18:0/2-OH-26:0)(1-)

seed.compound:cpd33943
seedM:cpd33943
XYCNASUKVOVNSX-JZZCRTNLSA-M 		IPC-2' (C26)
IPC-B' (C26)
Ins-1-P-Cer(d18:0/2-OH-26:0)
inositol phosphoceramide B' (C26)
inositol-P-ceramide B' (18:0/26:0)
inositol-P-ceramide B' (C26)

CHEBI:60409
chebi:60409
XYCNASUKVOVNSX-JZZCRTNLSA-N 		Ins-1-P-Cer(d18:0/2-OH-26:0)
(2S,3R)-3-hydroxy-2-{[(2S)-hydroxyhexacosanoyl]amino}octadecyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl hydrogen phosphate
(2S,3R)-3-hydroxy-2-{[(2S)-hydroxyhexacosanoyl]amino}octadecyl 1D-myo-inositol hydrogen phosphate
IPC-2' (C26)
IPC-B' (C26)
inositol-P-ceramide B' (18:0/26:0)
inositol-P-ceramide B' (C26)

metacyc.compound:CPD-16378
metacycM:CPD-16378
XYCNASUKVOVNSX-JZZCRTNLSA-M 		inositol phosphoceramide B' (C26)
IPC-2' (C26)
IPC-B' (C26)
Ins-1-P-Cer(d18:0/2-OH-26:0)
inositol-P-ceramide B' (18:0/26:0)
inositol-P-ceramide B' (C26)

seedM:M_cpd33943 		secondary/obsolete/fantasy identifier