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PE(18:1(11Z)/18:1(9Z))

PropertiesImage
MNX_IDMNXM71649 Image of MNXM71649
referencechebi:170416
formulaC41H78NO8P
global charge0
mol weight744.048
InChIKeyVHHMKXOBDPAFKC-HWQBUQMOSA-N
InChIInChI=1S/C41H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,18,20,39H,3-12,14,16-17,19,21-38,42H2,1-2H3,(H,45,46)/b15-13-,20-18-/t39-/m1/s1
SMILESCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCCCC
MNX internals
InChI (mnx)InChI=1/C41H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,18,20,39H,3-12,14,16-17,19,21-38,42H2,1-2H3,(H,45,46)/b15-13-,20-18-/t39-/m1/s1 Image of MNXM71649
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11]/[CH:13]=[CH:15]\[CH2:17][CH2:19][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][C:40](=[O:43])[O:47][CH2:37][C@H:39]([CH2:38][O:49][P:51]([OH:45])(=[O:46])[O:48][CH2:36][CH2:35][NH2:42])[O:50][C:41]([CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22]/[CH:20]=[CH:18]\[CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:44]
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:170416
chebi:170416
VHHMKXOBDPAFKC-HWQBUQMOSA-N 		PE(18:1(11Z)/18:1(9Z))
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-octadec-11-enoyl]oxypropan-2-yl] (Z)-octadec-9-enoate

SLM:000031026
slm:000031026
VHHMKXOBDPAFKC-HWQBUQMOSA-N 		1-(11Z-octadecenoyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine
PE(18:1(11Z)/18:1(9Z))
Phosphatidylethanolamine (18:1(11Z)/18:1(9Z))
hmdb:HMDB0009026
VHHMKXOBDPAFKC-HWQBUQMOSA-N 		PE(18:1(11Z)/18:1(9Z))
(2-aminoethoxy)[(2R)-3-[(11Z)-octadec-11-enoyloxy]-2-[(9Z)-octadec-9-enoyloxy]propoxy]phosphinic acid
1-(11Z-Octadecenoyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine
1-Vaccenoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine
2-aminoethoxy(2R)-3-[(11Z)-octadec-11-enoyloxy]-2-[(9Z)-octadec-9-enoyloxy]propoxyphosphinic acid
GPEtn(18:1/18:1)
GPEtn(36:2)
PE(18:1/18:1)
PE(36:2)
Phophatidylethanolamine(18:1/18:1)
Phophatidylethanolamine(36:2)

bigg.metabolite:pe18111Z1819Z
biggM:pe18111Z1819Z 		Phosphatidylethanolamine (18:1(11Z)/18:1(9Z))

seed.compound:cpd30465
seedM:cpd30465 		phosphatidylethanolamine (18:1(11Z)/18:1(9Z))

hmdb:HMDB0005343
hmdb:HMDB05343
hmdb:HMDB09026
biggM:M_pe18111Z1819Z
seedM:M_cpd30465 		secondary/obsolete/fantasy identifier