skip to main content

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

... > organooxygen compound > ester > phosphoric ester > phosphocholines > glycerophosphocholine > 1,2-diacyl-sn-glycero-3-phosphocholine > phosphatidylcholine 36:2 > 1-[(9z,12z)-octadecadienoyl]-2-octadecanoyl-sn-glycero-3-phosphocholine
... > organooxygen compound > ester > choline ester > phosphocholines > glycerophosphocholine > 1,2-diacyl-sn-glycero-3-phosphocholine > phosphatidylcholine 36:2 > 1-[(9z,12z)-octadecadienoyl]-2-octadecanoyl-sn-glycero-3-phosphocholine

Preferred term

1-[(9z,12z)-octadecadienoyl]-2-octadecanoyl-sn-glycero-3-phosphocholine  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C44H84NO8P

has_functional_parent

inchi

  • InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,42H,6-13,15,17-19,21,23-41H2,1-5H3/b16-14-,22-20-/t42-/m1/s1

inchikey

  • DZPKSVTWWIZUMS-FPUNCOTOSA-N

mass

  • 786.11340

monoisotopicmass

  • 785.59346

smiles

  • CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C/C/C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C

subset

  • 3_STAR

synonym EXACT

  • (2R)-3-{[(9Z,12Z)-octadeca-9,12-dienoyl]oxy}-2-(octadecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:86112

Download this concept: