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1-hexadecanoyl-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM13870 Image of MNXM13870
referencechebi:84789
formulaC42H78NO8P
global charge0
mol weight756.059
InChIKeyJMAYDGBZRHQJAT-QWFQJEORSA-N
InChIInChI=1S/C42H78NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,40H,6-7,9,11-13,15,17-19,22-39H2,1-5H3/b10-8-,16-14-,21-20-/t40-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
MNX internals
InChI (mnx)InChI=1/C42H78NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,40H,6-7,9,11-13,15,17-19,22-39H2,1-5H3/b10-8-,16-14-,21-20-/t40-/m1/s1 Image of MNXM13870
SMILES (mnx)[CH3:1][CH2:6]/[CH:8]=[CH:10]\[CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:20]=[CH:21]\[CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][C:42](=[O:45])[O:51][C@H:40]([CH2:38][O:48][C:41]([CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:44])[CH2:39][O:50][P:52](=[O:46])([O-:47])[O:49][CH2:37][CH2:36][N+:43]([CH3:3])([CH3:4])[CH3:5]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:84789
chebi:84789
JMAYDGBZRHQJAT-QWFQJEORSA-N 		1-hexadecanoyl-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphocholine
(2R)-3-(hexadecanoyloxy)-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
1-palmitoyl-2-(alpha-linolenoyl)-sn-glycero-3-phosphocholine
1-palmitoyl-2-[(9Z,12Z,15Z)-octadecatrienoyl]-sn-glycero-3-phosphocholine
PC(16:0/18:3(9Z,12Z,15Z))
PC(16:0/18:3)

seed.compound:cpd25068
seedM:cpd25068
JMAYDGBZRHQJAT-QWFQJEORSA-N 		1-16:0-2-18:3-phosphatidylcholine
1-hexadecanoyl-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphocholine
1-palmitoyl-2-alpha-linolenoyl-phosphatidylcholine
16:0-18:3-PC
phosphatidylcholine (1-16:0-2-18:3)

SLM:000013257
slm:000013257
JMAYDGBZRHQJAT-QWFQJEORSA-N 		1-hexadecanoyl-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphocholine
PC(16:0/18:3(9Z,12Z,15Z))
Phosphatidylcholine (16:0/18:3(9Z,12Z,15Z))

metacyc.compound:CPD-8159
metacycM:CPD-8159
JMAYDGBZRHQJAT-QWFQJEORSA-N 		1-palmitoyl-2-alpha-linolenoyl-phosphatidylcholine
1-16:0-2-18:3-phosphatidylcholine
1-hexadecanoyl-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphocholine
16:0-18:3-PC
phosphatidylcholine (1-16:0-2-18:3)
hmdb:HMDB0007975
JMAYDGBZRHQJAT-QWFQJEORSA-N 		PC(16:0/18:3(9Z,12Z,15Z))
(2-{[(2R)-3-(hexadecanoyloxy)-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium
1-Hexadecanoyl-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphocholine
1-Palmitoyl-2-(a-linolenoyl)-sn-glycero-3-phosphocholine
1-Palmitoyl-2-(alpha-linolenoyl)-sn-glycero-3-phosphocholine
1-hexadecanoyl-2-(9Z,12Z,15Z-octadeatrienoyl)-sn-glycero-3-phosphocholine
1-palmitoyl-2-a-linolenoyl-sn-glycero-3-phosphocholine
GPCho(16:0/18:3)
GPCho(34:3)
Lecithin
PC(16:0/18:3)
PC(34:3)
Phosphatidylcholine(16:0/18:3)
Phosphatidylcholine(34:3)
lecithin

lipidmaps:LMGP01010601
lipidmapsM:LMGP01010601
JMAYDGBZRHQJAT-QWFQJEORSA-N 		PC(16:0/18:3(9Z,12Z,15Z))
1-hexadecanoyl-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphocholine
PC 34:3
PC(16:0/18:3)
PC(16:0_18:3)
PC(34:3)

hmdb:HMDB07975
seedM:M_cpd25068 		secondary/obsolete/fantasy identifier