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1-decanoyl-2-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycero-3-phosphoethanolamine

PropertiesImage
MNX_IDMNXM345381 Image of MNXM345381
referenceslm:000035120
formulaC33H60NO8P
global charge0
mol weight629.816
InChIKeyHGRXDAYYJUIIBN-WAOQOYMTSA-N
InChIInChI=1S/C33H60NO8P/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24-26-33(36)42-31(30-41-43(37,38)40-28-27-34)29-39-32(35)25-23-21-19-10-8-6-4-2/h11-12,14-15,17-18,31H,3-10,13,16,19-30,34H2,1-2H3,(H,37,38)/b12-11-,15-14-,18-17-/t31-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COC(=O)CCCCCCCCC)COP(=O)([O-])OCC[NH3+]
MNX internals
InChI (mnx)InChI=1/C33H60NO8P/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24-26-33(36)42-31(30-41-43(37,38)40-28-27-34)29-39-32(35)25-23-21-19-10-8-6-4-2/h11-12,14-15,17-18,31H,3-10,13,16,19-30,34H2,1-2H3,(H,37,38)/b12-11-,15-14-,18-17-/t31-/m1/s1 Image of MNXM345381
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:20][CH2:22][CH2:24][CH2:26][C:33](=[O:36])[O:42][C@H:31]([CH2:29][O:39][C:32]([CH2:25][CH2:23][CH2:21][CH2:19][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:35])[CH2:30][O:41][P:43]([OH:37])(=[O:38])[O:40][CH2:28][CH2:27][NH2:34]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

SLM:000035120
slm:000035120
HGRXDAYYJUIIBN-WAOQOYMTSA-N
1-decanoyl-2-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycero-3-phosphoethanolamine
PE(10:0/18:3(6Z,9Z,12Z))
Phosphatidylethanolamine (10:0/18:3(6Z,9Z,12Z))