CHEBI:179028 - PC(16:0/18:2(2Z,4Z))

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name PC(16:0/18:2(2Z,4Z))
ChEBI ID CHEBI:179028
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C42H80NO8P
Net Charge 0
Average Mass 758.075
Monoisotopic Mass 757.56216
InChI InChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h29,31,33,35,40H,6-28,30,32,34,36-39H2,1-5H3/b31-29-,35-33-/t40-/m1/s1
InChIKey CFORBWCMGILWNN-DTYIFQBKSA-N
SMILES P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)/C=C\C=C/CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)([O-])=O
ChEBI Ontology
Outgoing PC(16:0/18:2(2Z,4Z)) (CHEBI:179028) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name
[(2R)-3-hexadecanoyloxy-2-[(2Z,4Z)-octadeca-2,4-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual Xrefs Databases
24822349 ChemSpider
LMGP01010588 LIPID MAPS
View more database links