CHEBI:196774 - PC(12:0/19:1(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(12:0/19:1(9Z))
ChEBI ID CHEBI:196774
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C39H76NO8P
Net Charge 0
Average Mass 718.010
Monoisotopic Mass 717.53086
InChI InChI=1S/C39H76NO8P/c1-6-8-10-12-14-16-17-18-19-20-21-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40(3,4)5)35-45-38(41)31-29-27-25-23-15-13-11-9-7-2/h19-20,37H,6-18,21-36H2,1-5H3/b20-19-/t37-/m1/s1
InChIKey ISFOPOGKBOMRIJ-PLOGQBHYSA-N
SMILES P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCCC)COC(=O)CCCCCCCCCCC)([O-])=O
ChEBI Ontology
Outgoing PC(12:0/19:1(9Z)) (CHEBI:196774) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name
[(2R)-3-dodecanoyloxy-2-[(Z)-nonadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual Xrefs Databases
113374894 ChemSpider
LMGP01011328 LIPID MAPS
View more database links