CHEBI:196440 - PC(20:4(5Z,8Z,11Z,14Z)/32:0)

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(20:4(5Z,8Z,11Z,14Z)/32:0)
ChEBI ID CHEBI:196440
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C60H112NO8P
Net Charge 0
Average Mass 1006.529
Monoisotopic Mass 1005.81256
InChI InChI=1S/C60H112NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-28-29-30-31-32-33-34-35-37-39-41-43-45-47-49-51-53-60(63)69-58(57-68-70(64,65)67-55-54-61(3,4)5)56-66-59(62)52-50-48-46-44-42-40-38-36-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,38,40,44,46,58H,6-14,16,18-20,22,24-37,39,41-43,45,47-57H2,1-5H3/b17-15-,23-21-,40-38-,46-44-/t58-/m1/s1
InChIKey PBQWGXZOHSXMOH-ROEYWWOSSA-N
SMILES P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)([O-])=O
ChEBI Ontology
Outgoing PC(20:4(5Z,8Z,11Z,14Z)/32:0) (CHEBI:196440) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name
[(2R)-2-dotriacontanoyloxy-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual Xrefs Databases
24822659 ChemSpider
LMGP01011055 LIPID MAPS
View more database links