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PE(13:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

PropertiesImage
MNX_IDMNXM71238 Image of MNXM71238
referencechebi:187368
formulaC40H68NO8P
global charge0
mol weight721.957
InChIKeyLDMXPCTZIQUOTM-FHKNFDDZSA-N
InChIInChI=1S/C40H68NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41)36-46-39(42)32-30-28-26-24-14-12-10-8-6-4-2/h5,7,11,13,16-17,19-20,22-23,27,29,38H,3-4,6,8-10,12,14-15,18,21,24-26,28,30-37,41H2,1-2H3,(H,44,45)/b7-5-,13-11-,17-16-,20-19-,23-22-,29-27-/t38-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC)COP(=O)(O)OCCN
MNX internals
InChI (mnx)InChI=1/C40H68NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41)36-46-39(42)32-30-28-26-24-14-12-10-8-6-4-2/h5,7,11,13,16-17,19-20,22-23,27,29,38H,3-4,6,8-10,12,14-15,18,21,24-26,28,30-37,41H2,1-2H3,(H,44,45)/b7-5-,13-11-,17-16-,20-19-,23-22-,29-27-/t38-/m1/s1 Image of MNXM71238
SMILES (mnx)[CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:16]=[CH:17]\[CH2:18]/[CH:19]=[CH:20]\[CH2:21]/[CH:22]=[CH:23]\[CH2:25]/[CH:27]=[CH:29]\[CH2:31][CH2:33][C:40](=[O:43])[O:49][C@H:38]([CH2:36][O:46][C:39]([CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:42])[CH2:37][O:48][P:50]([OH:44])(=[O:45])[O:47][CH2:35][CH2:34][NH2:41]
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

CHEBI:187368
chebi:187368
LDMXPCTZIQUOTM-FHKNFDDZSA-N
PE(13:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-tridecanoyloxypropan-2-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate

SLM:000036531
slm:000036531
LDMXPCTZIQUOTM-FHKNFDDZSA-N
1-tridecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine
PE(13:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Phosphatidylethanolamine (13:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

lipidmaps:LMGP02010405
lipidmapsM:LMGP02010405
LDMXPCTZIQUOTM-FHKNFDDZSA-N
PE(13:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
1-tridecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-glycero-3-phosphoethanolamine
PE 35:6
PE(13:0_22:6)
PE(35:6)