CHEBI:72837 - 1-hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-D-myo-inositol(1−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-D-myo-inositol(1−)
ChEBI ID CHEBI:72837
ChEBI ASCII Name 1-hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-D-myo-inositol(1-)
Definition A 1-hexadecanoyl-2-acyl-sn-glycero-3-phospho-1D-myo-inositol(1−) obtained by deprotonation of the phosphate OH group of 1-hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-D-myo-inositol.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter abridge
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
more structures >>
Formula C43H80O13P
Net Charge -1
Average Mass 836.063
Monoisotopic Mass 835.53420
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)/p-1/b18-17-/t35-,38-,39-,40+,41-,42-,43-/m1/s1
InChIKey PDLAMJKMOKWLAJ-KTBSNPQYSA-M
SMILES [C@@H]1([C@@H]([C@@H]([C@@H]([C@H]([C@@H]1O)O)O)O)OP(OC[C@@H](COC(CCCCCCCCCCCCCCC)=O)OC(CCCCCCC/C=C\CCCCCCCC)=O)(=O)[O-])O
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
(via 1-phosphatidyl-1D-myo-inositol(1-) )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1-hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-D-myo-inositol(1−) (CHEBI:72837) is a 1-acyl-2-oleoyl-sn-glycero-3-phospho-1D-myo-inositol(1−) (CHEBI:75116)
1-hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-D-myo-inositol(1−) (CHEBI:72837) is a 1-hexadecanoyl-2-acyl-sn-glycero-3-phospho-1D-myo-inositol(1−) (CHEBI:64875)
1-hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-D-myo-inositol(1−) (CHEBI:72837) is a phosphatidylinositol 34:1(1−) (CHEBI:74237)
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)
Incoming 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)
IUPAC Name
(2R)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate
Synonyms Sources
1-16:0-2-18:1-phosphatidylinositol MetaCyc
1-hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1D-myo-inositol) UniProt
1-palmitoyl-2-oleoyl-GPI ChEBI
1-palmitoyl-2-oleoyl-GPI (16:0/18:1) ChEBI
16:0-18:1-PI MetaCyc
2-oleoyl-1-palmitoyl-sn-glycero-3-phospho-D-myo-inositol(1−) ChEBI
GPI(16:0/18:1) ChEBI
PI(16:0/18:1(9Z)) SUBMITTER
PI(16:0/18:1) SUBMITTER
Manual Xref Database
CPD-8320 MetaCyc
View more database links
Last Modified
08 December 2016