Ins-1-P-Cer(t18:0/26:0) (CHEBI:60412)

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CHEBI:60412 - Ins-1-P-Cer(t18:0/26:0)

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ChEBI ID	CHEBI:60412
ChEBI Name	Ins-1-P-Cer(t18:0/26:0)
Stars
Definition	A ceramide phosphoinositol compound having a hexacosanoyl group attached to the ceramide nitrogen, hydroxylation at C-4 of the long-chain base, and no additional hydroxylation of the very-long-chain fatty acid.
Last Modified	21 January 2016
Submitter	bheavner
Downloads	Molfile

Formula	C50H100NO12P
Net Charge	0
Average Mass	938.319
Monoisotopic Mass	937.69831
SMILES	CCCCCCCCCCCCCCCCCCCCCCCCCC(=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
InChI	InChI=1S/C50H100NO12P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-43(53)51-41(40-62-64(60,61)63-50-48(58)46(56)45(55)47(57)49(50)59)44(54)42(52)38-36-34-32-30-28-16-14-12-10-8-6-4-2/h41-42,44-50,52,54-59H,3-40H2,1-2H3,(H,51,53)(H,60,61)/t41-,42-,44-,45-,46-,47+,48+,49+,50-/m0/s1
InChIKey	ZAWCXEGDYSBAHF-OKCLXCGZSA-N

Species of Metabolite	Component	Source	Comments
Saccharomyces cerevisiae (ncbitaxon:4932)	-	PubMed (24678285)	Source: yeast.sf.net

Roles Classification

Biological Role:

Saccharomyces cerevisiae metabolite Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).

ChEBI Ontology

Outgoing Relation(s)
	Ins-1-P-Cer(t18:0/26:0) (CHEBI:60412) has functional parent N-hexacosanoylphytosphingosine (CHEBI:52980)
	Ins-1-P-Cer(t18:0/26:0) (CHEBI:60412) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
	Ins-1-P-Cer(t18:0/26:0) (CHEBI:60412) is a inositol phosphoceramide (CHEBI:60245)
	Ins-1-P-Cer(t18:0/26:0) (CHEBI:60412) is conjugate acid of Ins-1-P-Cer(t18:0/26:0)(1−) (CHEBI:65155)
Incoming Relation(s)
	Man-1-6-Ins-1-P-Cer(t18:0/26:0) (CHEBI:62710) has functional parent Ins-1-P-Cer(t18:0/26:0) (CHEBI:60412)
	Man-β1-6-Ins-1-P-Cer(t20:0/26:0) (CHEBI:60421) has functional parent Ins-1-P-Cer(t18:0/26:0) (CHEBI:60412)
	Ins-1-P-Cer(t18:0/26:0)(1−) (CHEBI:65155) is conjugate base of Ins-1-P-Cer(t18:0/26:0) (CHEBI:60412)

IUPAC Names
(2S,3S,4S)-2-(hexacosanoylamino)-3,4-dihydroxyoctadecyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl hydrogen phosphate
(2S,3S,4S)-2-(hexacosanoylamino)-3,4-dihydroxyoctadecyl 1D-myo-inositol hydrogen phosphate

Synonyms	Source
IPC-B (C26)	SUBMITTER
IPC-2 (C26)	SUBMITTER
inositol-P-ceramide B (C₂₆)	ChEBI
inositol-P-ceramide B (18:0/26:0)	ChEBI

Manual Xrefs	Databases
LMSP03030002	LIPID MAPS

Citations