CHEBI:178369 - PC(13:0/16:1(9Z))

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(13:0/16:1(9Z))
ChEBI ID CHEBI:178369
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C37H72NO8P
Net Charge 0
Average Mass 689.956
Monoisotopic Mass 689.49956
InChI InChI=1S/C37H72NO8P/c1-6-8-10-12-14-16-18-19-20-22-24-26-28-30-37(40)46-35(34-45-47(41,42)44-32-31-38(3,4)5)33-43-36(39)29-27-25-23-21-17-15-13-11-9-7-2/h16,18,35H,6-15,17,19-34H2,1-5H3/b18-16-/t35-/m1/s1
InChIKey DTUMSOBOXIHQFD-AKTZZRFPSA-N
SMILES P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCCCCC)([O-])=O
ChEBI Ontology
Outgoing PC(13:0/16:1(9Z)) (CHEBI:178369) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name
[(2R)-2-[(Z)-hexadec-9-enoyl]oxy-3-tridecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual Xref Database
LMGP01011343 LIPID MAPS
View more database links