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Ins-1-P-Cer(t18:0/2,3-OH-26:0)

MNXM57484 is deprecated and replaced by MNXM527427
PropertiesImage
MNX_IDMNXM527427 Image of MNXM527427
referencechebi:60415
formulaC50H100NO14P
global charge0
mol weight970.317
InChIKeyBUJDESZERWRJFC-QMPYUXPBSA-N
InChIInChI=1S/C50H100NO14P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-41(53)43(55)50(61)51-39(38-64-66(62,63)65-49-47(59)45(57)44(56)46(58)48(49)60)42(54)40(52)36-34-32-30-28-26-16-14-12-10-8-6-4-2/h39-49,52-60H,3-38H2,1-2H3,(H,51,61)(H,62,63)/t39-,40+,41+,42-,43-,44-,45-,46+,47+,48+,49-/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]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C50H100NO14P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-41(53)43(55)50(61)51-39(38-64-66(62,63)65-49-47(59)45(57)44(56)46(58)48(49)60)42(54)40(52)36-34-32-30-28-26-16-14-12-10-8-6-4-2/h39-49,52-60H,3-38H2,1-2H3,(H,51,61)(H,62,63)/t39-,40+,41+,42-,43-,44-,45-,46+,47+,48+,49-/m0/s1 Image of MNXM527427
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:41]([C@@H:43]([C:50](=[N:51][C@@H:39]([CH2:38][O:64][P:66]([OH:62])(=[O:63])[O:65][C@H:49]1[C@H:47]([OH:59])[C@@H:45]([OH:57])[C@H:44]([OH:56])[C@@H:46]([OH:58])[C@H:48]1[OH:60])[C@@H:42]([C@@H:40]([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:54])[OH:61])[OH:55])[OH:53]
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

CHEBI:60415
chebi:60415
BUJDESZERWRJFC-QMPYUXPBSA-N 		Ins-1-P-Cer(t18:0/2,3-OH-26:0)
(2S,3S,4R)-2-{[(2S,3R)-2,3-dihydroxyhexacosanoyl]amino}-3,4-dihydroxyoctadecyl (1S,2R,3R,4R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl hydrogen phosphate
(2S,3S,4R)-2-{[(2S,3R)-2,3-dihydroxyhexacosanoyl]amino}-3,4-dihydroxyoctadecyl 1D-myo-inositol hydrogen phosphate
IPC-4 (C26)
IPC-D (C26)
inositol-P-ceramide D (18:0/26:0)
inositol-P-ceramide D (C26)

seed.compound:cpd33820
seedM:cpd33820
BUJDESZERWRJFC-QMPYUXPBSA-M 		IPC-4 (C26)
IPC-D (C26)
Ins-1-P-Cer(t18:0/2,3-OH-26:0)
inositol phosphoceramide D (C26)
inositol-P-ceramide D (18:0/26:0)
inositol-P-ceramide D (C26)

CHEBI:65168
chebi:65168
BUJDESZERWRJFC-QMPYUXPBSA-M 		Ins-1-P-Cer(t18:0/2,3-OH-26:0)(1-)
(2S,3S,4R)-2-{[(2S,3R)-2,3-dihydroxyhexacosanoyl]amino}-3,4-dihydroxyoctadecyl (1S,2R,3R,4R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate

metacyc.compound:CPD-16383
metacycM:CPD-16383
BUJDESZERWRJFC-QMPYUXPBSA-M 		inositol phosphoceramide D (C26)
IPC-4 (C26)
IPC-D (C26)
Ins-1-P-Cer(t18:0/2,3-OH-26:0)
inositol-P-ceramide D (18:0/26:0)
inositol-P-ceramide D (C26)

seedM:M_cpd33820 		secondary/obsolete/fantasy identifier