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Cyclopropane phosphatidylethanolamine (dioctadec-11,12-cyclo-anoyl, n-C18:0 cyclo)

MNXM48209 is deprecated and here replaced by MNXM736947
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM736947 Image of MNXM736947
referencebiggM:cpe180
formulaC43H81NO8P
global charge-1
mol weight771.094
InChIKeyHCFAHMIUAQMBSN-UHFFFAOYSA-M
InChIInChI=1S/C43H82NO8P/c1-3-5-7-19-25-37-33-39(37)27-21-15-11-9-13-17-23-29-42(47)44(31-32-51-53(49,50)52-36-41(46)35-45)43(48)30-24-18-14-10-12-16-22-28-40-34-38(40)26-20-8-6-4-2/h37-41,45-46H,3-36H2,1-2H3,(H,49,50)/p-1
SMILESCCCCCCC1CC1CCCCCCCCCC(=O)N(CCOP(=O)([O-])OCC(O)CO)C(=O)CCCCCCCCCC1CC1CCCCCC
MNX internals
InChI (mnx)InChI=1/C43H82NO8P/c1-3-5-7-19-25-37-33-39(37)27-21-15-11-9-13-17-23-29-42(47)44(31-32-51-53(49,50)52-36-41(46)35-45)43(48)30-24-18-14-10-12-16-22-28-40-34-38(40)26-20-8-6-4-2/h37-41,45-46H,3-36H2,1-2H3,(H,49,50)/t37?,38?,39?,40?,41? Image of MNXM736947
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH2:19][CH2:25][CH:37]1[CH2:33][CH:39]1[CH2:27][CH2:21][CH2:15][CH2:11][CH2:9][CH2:13][CH2:17][CH2:23][CH2:29][C:42]([N:44]([CH2:31][CH2:32][O:51][P:53]([OH:49])(=[O:50])[O:52][CH2:36][CH:41]([CH2:35][OH:45])[OH:46])[C:43]([CH2:30][CH2:24][CH2:18][CH2:14][CH2:10][CH2:12][CH2:16][CH2:22][CH2:28][CH:40]1[CH2:34][CH:38]1[CH2:26][CH2:20][CH2:8][CH2:6][CH2:4][CH3:2])=[O:48])=[O:47]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

bigg.metabolite:cpe180
biggM:cpe180
HCFAHMIUAQMBSN-UHFFFAOYSA-M 		Cyclopropane phosphatidylethanolamine (dioctadec-11,12-cyclo-anoyl, n-C18:0 cyclo)

biggM:M_cpe180 		secondary/obsolete/fantasy identifier