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PC(22:0/18:3(9Z,12Z,15Z))

PropertiesImage
MNX_IDMNXM70356 Image of MNXM70356
referencechebi:89068
formulaC48H90NO8P
global charge0
mol weight840.221
InChIKeyJYFWSVLYQSTYHE-NOAWTOFZSA-N
InChIInChI=1S/C48H90NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,26,46H,6-8,10,12-14,16,18-20,22-25,27-45H2,1-5H3/b11-9-,17-15-,26-21-/t46-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
MNX internals
InChI (mnx)InChI=1/C48H90NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,26,46H,6-8,10,12-14,16,18-20,22-25,27-45H2,1-5H3/b11-9-,17-15-,26-21-/t46-/m1/s1 Image of MNXM70356
SMILES (mnx)[CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:22][CH2:23][CH2:24][CH2:25][CH2:27][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][C:47](=[O:50])[O:54][CH2:44][C@H:46]([CH2:45][O:56][P:58](=[O:52])([O-:53])[O:55][CH2:43][CH2:42][N+:49]([CH3:3])([CH3:4])[CH3:5])[O:57][C:48]([CH2:41][CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:29]/[CH:26]=[CH:21]\[CH2:19]/[CH:17]=[CH:15]\[CH2:13]/[CH:11]=[CH:9]\[CH2:7][CH3:2])=[O:51]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:89068
chebi:89068
JYFWSVLYQSTYHE-NOAWTOFZSA-N 		PC(22:0/18:3(9Z,12Z,15Z))
(2-{[(2R)-3-(docosanoyloxy)-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium
1-Behenoyl-2-a-linolenoyl-sn-glycero-3-phosphocholine
1-Behenoyl-2-alpha-linolenoyl-sn-glycero-3-phosphocholine
GPCho(22:0/18:3)
GPCho(22:0/18:3n3)
GPCho(22:0/18:3w3)
GPCho(40:3)
Lecithin
PC aa C40:3
PC(22:0/18:3)
PC(22:0/18:3n3)
PC(22:0/18:3w3)
PC(40:3)
Phosphatidylcholine(22:0/18:3)
Phosphatidylcholine(22:0/18:3n3)
Phosphatidylcholine(22:0/18:3w3)
Phosphatidylcholine(40:3)

metacyc.compound:CPD-8380
metacycM:CPD-8380
seed.compound:cpd25217
seedM:cpd25217
JYFWSVLYQSTYHE-NOAWTOFZSA-N 		1-22:0-2-18:3-phosphatidylcholine
1-docosanoyl-2-(9Z,12Z, 15Z-octadecatrienoyl)-sn-glycero-3-phosphocholine
22:0-18:3-PC
phosphatidylcholine (1-22:0-2-18:3)

SLM:000012787
slm:000012787
JYFWSVLYQSTYHE-NOAWTOFZSA-N 		1-docosanoyl-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphocholine
PC(22:0/18:3(9Z,12Z,15Z))
Phosphatidylcholine (22:0/18:3(9Z,12Z,15Z))
hmdb:HMDB0008535
JYFWSVLYQSTYHE-NOAWTOFZSA-N 		PC(22:0/18:3(9Z,12Z,15Z))
(2-{[(2R)-3-(docosanoyloxy)-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium
1-behenoyl-2-a-linolenoyl-sn-glycero-3-phosphocholine
1-docosanoyl-2-(9Z,12Z,15Z-octadeatrienoyl)-sn-glycero-3-phosphocholine
GPCho(22:0/18:3)
GPCho(40:3)
Lecithin
PC(22:0/18:3)
PC(40:3)
Phosphatidylcholine(22:0/18:3)
Phosphatidylcholine(40:3)
lecithin

lipidmaps:LMGP01011990
lipidmapsM:LMGP01011990
JYFWSVLYQSTYHE-NOAWTOFZSA-N 		PC(22:0/18:3(9Z,12Z,15Z))
1-docosanoyl-2-(9Z,12Z,15Z-octadecatrienoyl)-glycero-3-phosphocholine
PC 40:3
PC(18:3_22:0)
PC(40:3)

hmdb:HMDB08535
seedM:M_cpd25217 		secondary/obsolete/fantasy identifier