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PC(22:1(13Z)/20:3(5Z,8Z,11Z))

Properties

Image

Occurences in reactions

MNX_ID

MNXM70432

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₅₀H₉₂NO₈P

charge

mass

865.65606

reference

chebi:88731

InChIKey

UMAICRBPHIYESB-DNBQMDTNSA-N

InChI

InChI=1S/C50H92NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h20-23,29,31,35,37,48H,6-19,24-28,30,32-34,36,38-47H2,1-5H3/b22-20-,23-21-,31-29-,37-35-/t48-/m1/s1

SMILES

CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:88731 chebi:88731	PC(22:1(13Z)/20:3(5Z,8Z,11Z)) (2-{[(2R)-3-[(13Z)-docos-13-enoyloxy]-2-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium 1-Erucoyl-2-meadoyl-sn-glycero-3-phosphocholine GPCho(22:1/20:3) GPCho(22:1n9/20:3n9) GPCho(22:1w9/20:3w9) GPCho(42:4) Lecithin PC aa C42:4 PC(22:1/20:3) PC(22:1n9/20:3n9) PC(22:1w9/20:3w9) PC(42:4) Phosphatidylcholine(22:1/20:3) Phosphatidylcholine(22:1n9/20:3n9) Phosphatidylcholine(22:1w9/20:3w9) Phosphatidylcholine(42:4)
hmdb:HMDB0008572	PC(22:1(13Z)/20:3(5Z,8Z,11Z)) (2-{[(2R)-3-[(13Z)-docos-13-enoyloxy]-2-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium 1-(13Z-Docosenoyl)-2-(5Z,8Z,11Z-eicosatrienoyl)-sn-glycero-3-phosphocholine 1-Erucoyl-2-meadoyl-sn-glycero-3-phosphocholine GPCho(22:1/20:3) GPCho(42:4) Lecithin PC(22:1/20:3) PC(42:4) Phosphatidylcholine(22:1/20:3) Phosphatidylcholine(42:4) lecithin
lipidmaps:LMGP01012228 lipidmapsM:LMGP01012228	PC(22:1(13Z)/20:3(5Z,8Z,11Z)) 1-(13Z-docosenoyl)-2-(5Z,8Z,11Z-eicosatrienoyl)-sn-glycero-3-phosphocholine PC 42:4 PC(20:3_22:1) PC(42:4)
hmdb:HMDB08572	secondary/obsolete/fantasy identifier