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

MNXM57484 is deprecated and replaced by MNXM527427

Properties

Image

Occurences in reactions

MNX_ID

MNXM527427

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

formula

C₅₀H₁₀₀NO₁₄P

charge

mass

969.68814

reference

chebi:60415

InChIKey

BUJDESZERWRJFC-QMPYUXPBSA-N

InChI

InChI=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

SMILES

CCCCCCCCCCCCCCCCCCCCCCC[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:60415 chebi:60415	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	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	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	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