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

MNXM57483 is deprecated and here replaced by MNXM1107465
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM1107465

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₄₈H₉₆NO₁₄P

charge

mass

941.65684

reference

chebi:60414

InChIKey

IFSVZMZUQHMLDK-KEMDANTFSA-N

InChI

InChI=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

SMILES

CCCCCCCCCCCCCCCCCCCCC[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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:60414 chebi:60414	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	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	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