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Concept information

... > organooxygen compound > ester > phosphoric ester > phosphocholines > glycerophosphocholine > 1,2-diacyl-sn-glycero-3-phosphocholine > phosphatidylcholine 40:6 > 1-octadecanoyl-2-[(9z,11z,13z,15z,17z,19e)-docosahexaenoyl]-sn-glycero-3-phosphocholine
... > chemical entity > molecular entity > ion > cation > organic cation > quaternary ammonium ion > cholines > phosphocholines > glycerophosphocholine > 1,2-diacyl-sn-glycero-3-phosphocholine > phosphatidylcholine 40:6 > 1-octadecanoyl-2-[(9z,11z,13z,15z,17z,19e)-docosahexaenoyl]-sn-glycero-3-phosphocholine
... > organooxygen compound > ester > choline ester > phosphocholines > glycerophosphocholine > 1,2-diacyl-sn-glycero-3-phosphocholine > phosphatidylcholine 40:6 > 1-octadecanoyl-2-[(9z,11z,13z,15z,17z,19e)-docosahexaenoyl]-sn-glycero-3-phosphocholine
... > organooxygen compound > ester > phosphoric ester > phospholipid > glycerophospholipid > glycerophosphocholine > 1,2-diacyl-sn-glycero-3-phosphocholine > phosphatidylcholine 40:6 > 1-octadecanoyl-2-[(9z,11z,13z,15z,17z,19e)-docosahexaenoyl]-sn-glycero-3-phosphocholine
... > organooxygen compound > ester > phosphoric ester > phosphocholines > glycerophosphocholine > phosphatidylcholine > 1,2-diacyl-sn-glycero-3-phosphocholine > phosphatidylcholine 40:6 > 1-octadecanoyl-2-[(9z,11z,13z,15z,17z,19e)-docosahexaenoyl]-sn-glycero-3-phosphocholine
... > organooxygen compound > ester > choline ester > phosphocholines > glycerophosphocholine > phosphatidylcholine > 1,2-diacyl-sn-glycero-3-phosphocholine > phosphatidylcholine 40:6 > 1-octadecanoyl-2-[(9z,11z,13z,15z,17z,19e)-docosahexaenoyl]-sn-glycero-3-phosphocholine
... > organooxygen compound > ester > phosphoric ester > phospholipid > glycerophospholipid > glycerophosphocholine > phosphatidylcholine > 1,2-diacyl-sn-glycero-3-phosphocholine > phosphatidylcholine 40:6 > 1-octadecanoyl-2-[(9z,11z,13z,15z,17z,19e)-docosahexaenoyl]-sn-glycero-3-phosphocholine

Preferred term

1-octadecanoyl-2-[(9z,11z,13z,15z,17z,19e)-docosahexaenoyl]-sn-glycero-3-phosphocholine  

Type

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

Broader concept

charge

  • 0

formula

  • C48H84NO8P

has_functional_parent

inchi

  • InChI=1S/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h8,10,12,14,16,18,20,22-25,27,46H,6-7,9,11,13,15,17,19,21,26,28-45H2,1-5H3/b10-8+,14-12-,18-16-,22-20-,24-23-,27-25-/t46-/m1/s1

inchikey

  • YZEGHVUBSYVNCN-CVCSLSNUSA-N

mass

  • 834.15620

monoisotopicmass

  • 833.59346

smiles

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

subset

  • 3_STAR

synonym EXACT

  • (2R)-2-[(9Z,11Z,13Z,15Z,17Z,19E)-docosa-9,11,13,15,17,19-hexaenoyloxy]-3-(octadecanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:84830

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