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1-palmitoyl-2-[(10E)-9-hydroperoxyoctadecenoyl]-sn-glycero-3-phosphocholine

Go to external page http://purl.obolibrary.org/obo/CHEBI_77753

A 1,2-diacyl-sn-glycero-3-phosphocholine in which 1 and 2-acyl groups are specified as palmitoyl (hexadecanoyl) and (10E)-9-hydroperoxyoctadecenoyl respectively.

Term info

Label

1-palmitoyl-2-[(10E)-9-hydroperoxyoctadecenoyl]-sn-glycero-3-phosphocholine

Synonyms
  • (2R)-3-(hexadecanoyloxy)-2-{[(10E)-9-hydroperoxyoctadec-10-enoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
database cross reference
Subsets

3_STAR

IUPAC NAME
(2R)-3-(hexadecanoyloxy)-2-{[(10E)-9-hydroperoxyoctadec-10-enoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate [ IUPAC ]

charge

0

formula

C42H82NO10P

has obo namespace

chebi_ontology

has related synonym

1-hexadecanoyl-2-[9-hydroperoxy-(10E-octadecenoyl)]-sn-glycero-3-phosphocholine, 1-hexadecanoyl-2-(9-hydroperoxy-10E-octadecenoyl)-sn -glycero-3-phosphocholine, 1-hexadecanoyl-2-[(10E)-9-hydroperoxyoctadecenoyl]-sn-glycero-3-phosphocholine

id

CHEBI:77753

inchi

InChI=1S/C42H82NO10P/c1-6-8-10-12-14-15-16-17-18-19-21-25-29-33-41(44)49-37-40(38-51-54(47,48)50-36-35-43(3,4)5)52-42(45)34-30-26-22-24-28-32-39(53-46)31-27-23-20-13-11-9-7-2/h27,31,39-40H,6-26,28-30,32-38H2,1-5H3,(H-,46,47,48)/b31-27+/t39?,40-/m1/s1

inchikey

PZGLXPVJRAJRPD-QGTBWRAMSA-N

mass

792.07490

monoisotopicmass

791.56763

smiles

CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC(OO)\C=C\CCCCCCC