1-hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-D-myo-inositol (CHEBI:73215)

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CHEBI:73215 - 1-hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-D-myo-inositol

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ChEBI ID	CHEBI:73215
ChEBI Name	1-hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-D-myo-inositol
Stars
ASCII Name	1-hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-D-myo-inositol
Definition	A 1-hexadecanoyl-2-acyl-sn-glycero-3-phospho-1D-myo-inositol in which the 2-acyl group is specified as 9Z-octadecenoyl (oleoyl).
Last Modified	22 November 2017
Submitter	Steve
Downloads	Molfile

Formula	C43H81O13P
Net Charge	0
Average Mass	837.082
Monoisotopic Mass	836.54148
SMILES	CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O
InChI	InChI=1S/C43H81O13P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)55-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)33-53-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,35,38-43,46-50H,3-16,19-34H2,1-2H3,(H,51,52)/b18-17-/t35-,38-,39-,40+,41-,42-,43-/m1/s1
InChIKey	PDLAMJKMOKWLAJ-KTBSNPQYSA-N

ChEBI Ontology

Outgoing Relation(s)
	1-hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-D-myo-inositol (CHEBI:73215) is a 1-hexadecanoyl-2-acyl-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:64890)
	1-hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-D-myo-inositol (CHEBI:73215) is conjugate acid of 1-hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-D-myo-inositol(1−) (CHEBI:72837)
Incoming Relation(s)
	1-hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-D-myo-inositol(1−) (CHEBI:72837) is conjugate base of 1-hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-D-myo-inositol (CHEBI:73215)

IUPAC Name
(2R)-1-(hexadecanoyloxy)-3-[(hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]propan-2-yl (9Z)-octadec-9-enoate

Synonyms	Source
1-16:0-2-18:1-phosphatidylinositol	MetaCyc
16:0-18:1-PI	MetaCyc
1-hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1'-myo-inositol)	LIPID MAPS
1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphoinositol	HMDB
2-oleoyl-1-palmitoyl-sn-glycero-3-phospho-D-myo-inositol	ChEBI
Phosphatidylinositol(16:0/18:1)	HMDB

Manual Xrefs	Databases
C13888	KEGG COMPOUND
CPD-8320	MetaCyc
HMDB0009783	HMDB
LMGP06010001	LIPID MAPS

Registry Numbers	Sources
Reaxys:7280494	Reaxys
CAS:88587-95-5	ChemIDplus

Citations