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1-O-(1Z,9Z,12Z-octadecatrienyl)-2-octanoyl-sn-glycero-3-phospho-N-dodecanoyl-ethanolamine

PropertiesImage
MNX_IDMNXM1023468 Image of MNXM1023468
referenceslm:000715857
formulaC43H79NO8P
global charge-1
mol weight769.078
InChIKeyMVULYCZJTJZLNE-HKATVWABSA-M
InChIInChI=1S/C43H80NO8P/c1-4-7-10-13-15-17-18-19-20-21-22-23-25-27-30-33-37-49-39-41(52-43(46)35-32-28-12-9-6-3)40-51-53(47,48)50-38-36-44-42(45)34-31-29-26-24-16-14-11-8-5-2/h15,17,19-20,33,37,41H,4-14,16,18,21-32,34-36,38-40H2,1-3H3,(H,44,45)(H,47,48)/p-1/b17-15-,20-19-,37-33-/t41-/m1/s1
SMILESCCCCC/C=C\C/C=C\CCCCCC/C=C\OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCCCCCC)OC(=O)CCCCCCC
MNX internals
InChI (mnx)InChI=1/C43H80NO8P/c1-4-7-10-13-15-17-18-19-20-21-22-23-25-27-30-33-37-49-39-41(52-43(46)35-32-28-12-9-6-3)40-51-53(47,48)50-38-36-44-42(45)34-31-29-26-24-16-14-11-8-5-2/h15,17,19-20,33,37,41H,4-14,16,18,21-32,34-36,38-40H2,1-3H3,(H,44,45)(H,47,48)/b17-15-,20-19-,37-33-/t41-/m1/s1 Image of MNXM1023468
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:15]=[CH:17]\[CH2:18]/[CH:19]=[CH:20]\[CH2:21][CH2:22][CH2:23][CH2:25][CH2:27][CH2:30]/[CH:33]=[CH:37]\[O:49][CH2:39][C@H:41]([CH2:40][O:51][P:53]([OH:47])(=[O:48])[O:50][CH2:38][CH2:36][N:44]=[C:42]([CH2:34][CH2:31][CH2:29][CH2:26][CH2:24][CH2:16][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])[OH:45])[O:52][C:43]([CH2:35][CH2:32][CH2:28][CH2:12][CH2:9][CH2:6][CH3:3])=[O:46]
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:000715857
slm:000715857
MVULYCZJTJZLNE-HKATVWABSA-M
1-O-(1Z,9Z,12Z-octadecatrienyl)-2-octanoyl-sn-glycero-3-phospho-N-dodecanoyl-ethanolamine
N-dodecanoyl-1-O-(1Z,9Z,12Z-octadecatrienyl)-2-octanoyl-sn-glycero-3-phosphoethanolamine
NAPE (P-18:2(9Z,12Z)/8:0/12:0)