Search MNXref
 Feedback

Ins-1-P-Cer(t18:0/2,3-OH-24:0)

MNXM57483 is deprecated and here replaced by MNXM1107465
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1107465 Image of MNXM1107465
referencechebi:60414
formulaC48H96NO14P
global charge0
mol weight942.263
InChIKeyIFSVZMZUQHMLDK-KEMDANTFSA-N
InChIInChI=1S/C48H96NO14P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-39(51)41(53)48(59)49-37(36-62-64(60,61)63-47-45(57)43(55)42(54)44(56)46(47)58)40(52)38(50)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h37-47,50-58H,3-36H2,1-2H3,(H,49,59)(H,60,61)/t37-,38+,39+,40-,41-,42-,43-,44+,45+,46+,47-/m0/s1
SMILESCCCCCCCCCCCCCCCCCCCCC[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/C48H96NO14P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-39(51)41(53)48(59)49-37(36-62-64(60,61)63-47-45(57)43(55)42(54)44(56)46(47)58)40(52)38(50)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h37-47,50-58H,3-36H2,1-2H3,(H,49,59)(H,60,61)/t37-,38+,39+,40-,41-,42-,43-,44+,45+,46+,47-/m0/s1 Image of MNXM1107465
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][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][C@H:39]([C@@H:41]([C:48](=[N:49][C@@H:37]([CH2:36][O:62][P:64]([OH:60])(=[O:61])[O:63][C@H:47]1[C@H:45]([OH:57])[C@@H:43]([OH:55])[C@H:42]([OH:54])[C@@H:44]([OH:56])[C@H:46]1[OH:58])[C@@H:40]([C@@H:38]([CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:50])[OH:52])[OH:59])[OH:53])[OH:51]
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:60414
chebi:60414
IFSVZMZUQHMLDK-KEMDANTFSA-N 		Ins-1-P-Cer(t18:0/2,3-OH-24:0)
(2S,3S,4R)-2-{[(2S,3R)-2,3-dihydroxytetracosanoyl]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-dihydroxytetracosanoyl]amino}-3,4-dihydroxyoctadecyl 1D-myo-inositol hydrogen phosphate
IPC-4 (C24)
IPC-D (C24)
inositol-P-ceramide D (18:0/24:0)
inositol-P-ceramide D (C24)

seed.compound:cpd31755
seedM:cpd31755
IFSVZMZUQHMLDK-KEMDANTFSA-M 		IPC-4 (C24)
IPC-D (C24)
Ins-1-P-Cer(t18:0/2,3-OH-24:0)
inositol phosphoceramide D (C24)
inositol-P-ceramide D (18:0/24:0)
inositol-P-ceramide D (C24)

metacyc.compound:CPD-16382
metacycM:CPD-16382
IFSVZMZUQHMLDK-KEMDANTFSA-M 		inositol phosphoceramide D (C24)
IPC-4 (C24)
IPC-D (C24)
Ins-1-P-Cer(t18:0/2,3-OH-24:0)
inositol-P-ceramide D (18:0/24:0)
inositol-P-ceramide D (C24)

seedM:M_cpd31755 		secondary/obsolete/fantasy identifier