Search MNXref
 Feedback

N-(hexacosanoyl)-sphinganine-1-(1D-myo-inositol)

PropertiesImage
MNX_IDMNXM57477 Image of MNXM57477
referencechebi:65089
formulaC50H99NO11P
global charge-1
mol weight921.312
InChIKeyORSGBBKDFSRJSQ-PCIXLOPBSA-M
InChIInChI=1S/C50H100NO11P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-44(53)51-42(43(52)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2)41-61-63(59,60)62-50-48(57)46(55)45(54)47(56)49(50)58/h42-43,45-50,52,54-58H,3-41H2,1-2H3,(H,51,53)(H,59,60)/p-1/t42-,43+,45-,46-,47+,48+,49+,50-/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](O)CCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C50H100NO11P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-44(53)51-42(43(52)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2)41-61-63(59,60)62-50-48(57)46(55)45(54)47(56)49(50)58/h42-43,45-50,52,54-58H,3-41H2,1-2H3,(H,51,53)(H,59,60)/t42-,43+,45-,46-,47+,48+,49+,50-/m0/s1 Image of MNXM57477
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:44](=[N:51][C@@H:42]([CH2:41][O:61][P:63]([OH:59])(=[O:60])[O:62][C@H:50]1[C@H:48]([OH:57])[C@@H:46]([OH:55])[C@H:45]([OH:54])[C@@H:47]([OH:56])[C@H:49]1[OH:58])[C@@H:43]([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:52])[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:65089
chebi:65089
ORSGBBKDFSRJSQ-PCIXLOPBSA-M 		N-(hexacosanoyl)-sphinganine-1-(1D-myo-inositol)
(2S,3R)-2-(hexacosanoylamino)-3-hydroxyoctadecyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate
Ins-1-P-Cer(d18:0/26:0)(1-)

seed.compound:cpd32685
seedM:cpd32685
ORSGBBKDFSRJSQ-PCIXLOPBSA-M 		IPC-1 (C26)
IPC-A (C26)
Ins-1-P-Cer(d18:0/26:0)
inositol phosphoceramide A (C26)
inositol phosphorylceramide A (C26)
inositol-P-ceramide A (18:0/26:0)
inositol-P-ceramide A (C26)

SLM:000508916
slm:000508916
ORSGBBKDFSRJSQ-PCIXLOPBSA-M 		Inositol-1-phospho-N-(hexacosanoyl)-sphinganine
IPC(d18:0/26:0)
Inositol-1-phospho-N-hexacosanoyl-sphinganine
Inositol-1-phosphoceramide (d18:0/26:0)
N-(hexacosanoyl)-sphinganine-1-phospho-(1'-myo-inositol)

CHEBI:60405
chebi:60405
ORSGBBKDFSRJSQ-PCIXLOPBSA-N 		Ins-1-P-Cer(d18:0/26:0)
(2S,3R)-2-(hexacosanoylamino)-3-hydroxyoctadecyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl hydrogen phosphate
(2S,3R)-2-(hexacosanoylamino)-3-hydroxyoctadecyl 1D-myo-inositol hydrogen phosphate
IPC-1 (C26)
IPC-A (C26)
inositol-P-ceramide A (18:0/26:0)
inositol-P-ceramide A (C26)

lipidmaps:LMSP03030011
lipidmapsM:LMSP03030011
ORSGBBKDFSRJSQ-PCIXLOPBSA-N 		PI-Cer(d18:0/26:0)
IPC 44:0
N-(hexacosanoyl)-sphinganine-1-phospho-(1'-myo-inositol)
O2

metacyc.compound:CPD-16375
metacycM:CPD-16375
ORSGBBKDFSRJSQ-PCIXLOPBSA-M 		inositol phosphoceramide A (C26)
IPC-1 (C26)
IPC-A (C26)
Ins-1-P-Cer(d18:0/26:0)
inositol phosphorylceramide A (C26)
inositol-P-ceramide A (18:0/26:0)
inositol-P-ceramide A (C26)

seedM:M_cpd32685 		secondary/obsolete/fantasy identifier