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Cyclopropane phosphatidylethanolamine (dihexadec-9,10-cyclo-anoyl, n-C16:0 cyclo)

MNXM48208 is deprecated and here replaced by MNXM736944
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM736944 Image of MNXM736944
referencebiggM:cpe160
formulaC39H73NO8P
global charge-1
mol weight714.986
InChIKeyDTFRUHREBAYLCS-UHFFFAOYSA-M
InChIInChI=1S/C39H74NO8P/c1-3-5-7-15-21-33-29-35(33)23-17-11-9-13-19-25-38(43)40(27-28-47-49(45,46)48-32-37(42)31-41)39(44)26-20-14-10-12-18-24-36-30-34(36)22-16-8-6-4-2/h33-37,41-42H,3-32H2,1-2H3,(H,45,46)/p-1
SMILESCCCCCCC1CC1CCCCCCCC(=O)N(CCOP(=O)([O-])OCC(O)CO)C(=O)CCCCCCCC1CC1CCCCCC
MNX internals
InChI (mnx)InChI=1/C39H74NO8P/c1-3-5-7-15-21-33-29-35(33)23-17-11-9-13-19-25-38(43)40(27-28-47-49(45,46)48-32-37(42)31-41)39(44)26-20-14-10-12-18-24-36-30-34(36)22-16-8-6-4-2/h33-37,41-42H,3-32H2,1-2H3,(H,45,46)/t33?,34?,35?,36?,37? Image of MNXM736944
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH2:15][CH2:21][CH:33]1[CH2:29][CH:35]1[CH2:23][CH2:17][CH2:11][CH2:9][CH2:13][CH2:19][CH2:25][C:38]([N:40]([CH2:27][CH2:28][O:47][P:49]([OH:45])(=[O:46])[O:48][CH2:32][CH:37]([CH2:31][OH:41])[OH:42])[C:39]([CH2:26][CH2:20][CH2:14][CH2:10][CH2:12][CH2:18][CH2:24][CH:36]1[CH2:30][CH:34]1[CH2:22][CH2:16][CH2:8][CH2:6][CH2:4][CH3:2])=[O:44])=[O:43]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 4
Similar chemical compounds in external resources
IdentifierDescription

bigg.metabolite:cpe160
biggM:cpe160
DTFRUHREBAYLCS-UHFFFAOYSA-M 		Cyclopropane phosphatidylethanolamine (dihexadec-9,10-cyclo-anoyl, n-C16:0 cyclo)

biggM:M_cpe160 		secondary/obsolete/fantasy identifier