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1-[(9Z,12Z,15Z)-octadecatrienoyl]-2-[(9Z)-octadecenoyl]-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM9570 Image of MNXM9570
referencechebi:86127
formulaC44H80NO8P
global charge0
mol weight782.097
InChIKeyLPDGUCIMNBNWEJ-BXZVQSHESA-N
InChIInChI=1S/C44H80NO8P/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/h8,10,14,16,20-23,42H,6-7,9,11-13,15,17-19,24-41H2,1-5H3/b10-8-,16-14-,22-20-,23-21-/t42-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC
MNX internals
InChI (mnx)InChI=1/C44H80NO8P/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/h8,10,14,16,20-23,42H,6-7,9,11-13,15,17-19,24-41H2,1-5H3/b10-8-,16-14-,22-20-,23-21-/t42-/m1/s1 Image of MNXM9570
SMILES (mnx)[CH3:1][CH2:6]/[CH:8]=[CH:10]\[CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:20]=[CH:22]\[CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][C:43](=[O:46])[O:50][CH2:40][C@H:42]([CH2:41][O:52][P:54](=[O:48])([O-:49])[O:51][CH2:39][CH2:38][N+:45]([CH3:3])([CH3:4])[CH3:5])[O:53][C:44]([CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25]/[CH:23]=[CH:21]\[CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:47]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:86127
chebi:86127
LPDGUCIMNBNWEJ-BXZVQSHESA-N 		1-[(9Z,12Z,15Z)-octadecatrienoyl]-2-[(9Z)-octadecenoyl]-sn-glycero-3-phosphocholine
(2R)-3-{[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy}-2-{[(9Z)-octadec-9-enoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
1-alpha-Linolenoyl-2-oleoyl-sn-glycero-3-phosphocholine
GPCho(18:3/18:1)
GPCho(18:3n3/18:1n9)
GPCho(18:3w3/18:1w9)
PC(18:3(9Z,12Z,15Z)/18:1(9Z))
PC(18:3/18:1)
PC(18:3n3/18:1n9)
PC(18:3w3/18:1w9)
Phosphatidylcholine(18:3/18:1)
Phosphatidylcholine(18:3n3/18:1n9)
Phosphatidylcholine(18:3w3/18:1w9)

SLM:000012004
slm:000012004
LPDGUCIMNBNWEJ-BXZVQSHESA-N 		1-(9Z,12Z,15Z-octadecatrienoyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine
PC(18:3(9Z,12Z,15Z)/18:1(9Z))
Phosphatidylcholine (18:3(9Z,12Z,15Z)/18:1(9Z))

seed.compound:cpd25039
seedM:cpd25039
LPDGUCIMNBNWEJ-BXZVQSHESA-N 		1-18:3-2-18:1-phosphatidylcholine
1-alpha-linolenoyl-2-oleoyl-phosphatidylcholine
18:3-18:1-PC
phosphatidylcholine (1-18:3-2-18:1)
hmdb:HMDB0008203
LPDGUCIMNBNWEJ-BXZVQSHESA-N 		PC(18:3(9Z,12Z,15Z)/18:1(9Z))
1-(9Z,12Z,15Z-Octadeatrienoyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine
1-a-Linolenoyl-2-oleoyl-sn-glycero-3-phosphocholine
1-alpha-Linolenoyl-2-oleoyl-sn-glycero-3-phosphocholine
1-alpha-linolenoyl-2-oleoyl-sn-glycero-3-phosphocholine
GPCho(18:3/18:1)
GPCho(18:3W3/18:1W9)
GPCho(18:3n3/18:1n9)
GPCho(36:4)
Lecithin
PC(18:3/18:1)
PC(18:3W3/18:1W9)
PC(18:3n3/18:1n9)
PC(36:4)
Phosphatidylcholine(18:3/18:1)
Phosphatidylcholine(18:3W3/18:1W9)
Phosphatidylcholine(18:3n3/18:1n9)
Phosphatidylcholine(36:4)
lecithin
trimethyl(2-{[(2R)-2-[(9Z)-octadec-9-enoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl phosphonato]oxy}ethyl)azanium

lipidmaps:LMGP01010955
lipidmapsM:LMGP01010955
LPDGUCIMNBNWEJ-BXZVQSHESA-N 		PC(18:3(9Z,12Z,15Z)/18:1(9Z))
1-(9Z,12Z,15Z-octadecatrienoyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine
PC 36:4
PC(18:1_18:3)
PC(18:3/18:1)
PC(36:4)

metacyc.compound:CPD-8089
metacycM:CPD-8089
LPDGUCIMNBNWEJ-BXZVQSHESA-N 		phosphatidylcholine (1-18:3-2-18:1)
1-18:3-2-18:1-phosphatidylcholine
1-alpha-linolenoyl-2-oleoyl-phosphatidylcholine
18:3-18:1-PC
PC(18:3/18:1)

hmdb:HMDB08203
seedM:M_cpd25039 		secondary/obsolete/fantasy identifier