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Ins-1-P-Cer(d18:0/28:0)(1-)

Properties

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Occurences in reactions

MNX_ID

MNXM126728

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

formula

C₅₂H₁₀₃NO₁₁P

charge

-1

mass

948.72742

reference

chebi:72551

InChIKey

OVFIDFVVVDQFRV-OSOATLSDSA-M

InChI

InChI=1S/C52H104NO11P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-46(55)53-44(45(54)41-39-37-35-33-31-29-16-14-12-10-8-6-4-2)43-63-65(61,62)64-52-50(59)48(57)47(56)49(58)51(52)60/h44-45,47-52,54,56-60H,3-43H2,1-2H3,(H,53,55)(H,61,62)/p-1/t44-,45+,47-,48-,49+,50+,51+,52-/m0/s1

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:72551 chebi:72551	Ins-1-P-Cer(d18:0/28:0)(1-) (2S,3R)-3-hydroxy-2-(octacosanoylamino)octadecyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate IPC-1 (C28) IPC-A (C28) IPC-A 18:0/28:0 inositol-P-ceramide-A (18:0/28:0) inositol-P-ceramide-A (C28)
SLM:000508917 slm:000508917	Inositol-1-phospho-N-(octacosanoyl)-sphinganine IPC(d18:0/28:0) Inositol-1-phospho-N-octacosanoyl-sphinganine Inositol-1-phosphoceramide (d18:0/28:0)